C17H25N5O7 Guanosine, 2′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9CI, A CI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 411.41 | - |
| Lae hehee (Hoʻokolohua) | 137-139.2 °C | - |
| ʻO ka mānoanoa (Wanamua) | 1.60±0.1 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 8.68±0.20 | ʻOi loa ka ʻakika: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeric SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC(C(C)C)=O)=N1
InChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18 -7-22(13)16-12(28-5-4-27-3)11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
InChI Ki
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 inoa ʻē aʻe no kēia mea
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosine (ACI)
| Loaʻa nā waiwai |
| Māmā |
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae hehee | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Loaʻa ka Spectra
1H NMR
13C NMR
IR
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | 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 | 1.0 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Mahana: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | -1.76 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 0.58 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 49 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 7.0 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.2 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.62 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.58 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.58 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.58 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.70 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.7 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 10 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Ka hoʻoheheʻe nui | 0.58 g/L | Wai hoʻopaʻa ʻole pH 5.98; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.4 x 10-3 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.12 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.017 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.0 x 10-3 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-3 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-3 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.025 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol/L | Wai hoʻopaʻa ʻole pH 5.98; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 411.41 | ||
| pKa | 8.68±0.20 | ʻOi loa ka ʻakika: 25 °C | (1) ACD |
| pKa | 3.05±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 | 1.60±0.1 g/cm3 | Maha: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 256.2±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 | |
| H Ka poe e ae | 12 | (1) ACD | |
| H Na kokua | 4 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 16 | (1) ACD | |
| logP | -0.497±0.633 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 411.41 |
(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 | 157 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
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![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)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
