C17H25N5O7 Guanosine, 2′-O- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl)-(9ci, isang CI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 411.41 | - |
| Natutunaw na punto (eksperimentong) | 137-139.2 ° C. | - |
| Density (hinulaang) | 1.60 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 8.68 ± 0.20 | Karamihan sa acidic temp: 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 key
Izoogjiuochaay-Ubedbupssa-n
1 iba pang pangalan para sa sangkap na ito
2′-O- (2-methoxyethyl) -N- (2-methyl-1-oxopropyl) guanosine (ACI)
| Magagamit ang mga pag -aari |
| Thermal |
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Natutunaw na punto | 137-139.2 ° C. | (1) Cas | |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, Caplus
Magagamit ang spectra
1h nmr
13c nmr
IR
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.01 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 5.81 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 11.4 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 12.6 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 12.7 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 12.5 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 10.6 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 4.20 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -2.44 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.60 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.84 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.55 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.50 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.50 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.51 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.58 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.98 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.76 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | -0.497 ± 0.633 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 0.58 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 49 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 7.0 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.2 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.62 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.58 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.58 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.58 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.70 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 10 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Solubility ng Mass | 0.58 g/l | Hindi nabuong tubig pH 5.98; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.4 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.12 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.017 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.0 x 10-3 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-3 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-3 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-3 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-3 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.7 x 10-3 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.2 x 10-3 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.025 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-3 mol/l | Hindi nabuong tubig pH 5.98; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 411.41 | ||
| PKA | 8.68 ± 0.20 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.05 ± 0.20 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Density
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 1.60 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 256.2 ± 7.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 9 | (1) ACD | |
| H Mga Tanggap | 12 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| Logp | -0.497 ± 0.633 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 411.41 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 157 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
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