![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl] -2,3,3a,9a-tetrahydro-3-hydroxy-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, CIA](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl] -2,3,3a,9a-tetrahydro-3-hydroxy-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, CIA Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl] -2,3,3a,9a-tetrahydro-3-hydroxy-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, (2R)-, CIA
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 528.55 | - |
| Lae hehee (Hoʻokolohua) | 129.5-130 °C | - |
| Lae paila (Wanamua) | 688.2±65.0 °C | Paʻi: 760 Torr |
| ʻO ka mānoanoa (Wanamua) | 1.35±0.1 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 12.51±0.40 | ʻOi loa ka ʻakika: 25 °C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
ISOmeric SMILES C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI Ki
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Nā inoa ʻē aʻe no kēia mea
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Loaʻa nā waiwai |
| Māmā |
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
| Loaʻa ka Spectra |
| 1H NMR |
| 13C NMR |
| IR |
| Mass |
Waiwai wānana
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
| Māmā |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1360 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 7; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1360 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1360 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1350 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 6080 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 6070 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 6060 | pH 10; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | 4.42 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 5.8 x 10-4 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-4 g/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-6 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 528.55 | ||
| pKa | 12.51±0.40 | ʻOi loa ka ʻakika: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 6.91 x 10-20 Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.35±0.1 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 389.8±7.0 knm3/mol | Maha: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 9 | (1) ACD | |
| Waiwai | Waiwai | Kūlana | Puna |
| H Ka poe e ae | 9 | (1) ACD | |
| H Na kokua | 1 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 10 | (1) ACD | |
| logP | 4.424±0.618 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 528.55 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 99.1 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 688.2±65.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 105.96±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 370.0±34.3 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)