C38H37N3O8 ʻAʻole i hāʻawi ʻia
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 663.72 | - |
| ʻAiʻa (Wanamua) | 1.304±0.06 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 8.27±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
NĀ ʻAʻO ʻIsomeric
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47- 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
InChI Ki
NZBGRVLZISPURB-LBFZIJHGSA-N
| Loaʻa nā waiwai |
| olaola |
| Loaʻa nā waiwai |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 5250 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 5250 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 5260 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 5260 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 5250 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 5200 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4720 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2460 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 466 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 96.9 | 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 | 16000 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 16000 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 16000 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 16000 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 16000 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 15800 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 14400 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 7510 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 1420 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 296 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 5.20 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 5.20 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 5.20 | pH 3;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logD | 5.20 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 5.20 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 5.19 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 5.15 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 4.87 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 4.15 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 3.46 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 5.198±0.644 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 9.3 x 10-6 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.3 x 10-6 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.1 x 10-5 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.0 x 10-5 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.1 x 10-4 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.1 x 10-4 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.1 x 10-5 g/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.4 x 10-8 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-8 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-8 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.0 x 10-8 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.7 x 10-7 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-8 mol/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Kaumaha Molekala | 663.72 | ||
| pKa | 8.27±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | ʻO ka mahana kumu loa: 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 | 1.304±0.06 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 508.6±3.0 knm3/mol | Ka mahana: 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 | 13 | (1) ACD | |
| H Ka poe e ae | 11 | (1) ACD | |
| H Kokua | 3 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 14 | (1) ACD | |
| logP | 5.198±0.644 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 663.72 |
(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 | 136 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)
Loaʻa ka Spectra
1H NMR
13C NMR
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
![C53H66N7O8PSi NO CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)