C15H21N5O6 Guanosine, 2′-O-methyl-n- (2-methyl-1-oxopropyl)-(9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 367.36 | - |
| Density (hinulaang) | 1.68 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Isomeric smiles o (c) [c@h] 1 [c@h] (n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) o [c@h] (co) [c@h] 1o
Inchi
Inchi = 1S/C15H21N5O6/C1-6 (2) 12 (23) 18-15-17-11-8 (13 (24) 19-15) 16-5-20 (11) 14-10 (25-3) 9 (22) 7 (4-21) 26-14/H5-7,9-10,14,21- 22h, 4h2,1-3h3, (H2,17,18,19,23,24)/t7-, 9-, 10-, 14-/m1/s1
Inchi key
RpulCyxeyodqog-AKAIJSEGSA-N
2 Iba pang mga pangalan para sa sangkap na ito
2′-O-Methyl-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-isobutyryl-2′-O-methylguanosine
Magagamit ang spectra
1h nmr
13c nmr
Mass
| 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 | 2.12 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 8.67 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 12.6 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 13.3 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 13.2 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 12.5 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 7.85 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1.76 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -1.26 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.65 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.49 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.47 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.46 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.46 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.47 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.49 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.69 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.34 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | -0.464 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 0.55 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.84 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.59 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.55 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.55 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.55 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.55 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.59 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.96 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.55 g/l | Hindi nabuong tubig pH 6.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.5 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 9.6 x 10-3 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.3 x 10-3 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.6 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 | 1.5 x 10-3 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 1.5 x 10-3 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-3 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.6 x 10-3 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.6 x 10-3 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.012 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-3 mol/l | Hindi nabuong tubig pH 6.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 367.36 | ||
| PKA | 9.16 ± 0.20 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 1.73 ± 0.10 | 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 | 1.68 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 217.6 ± 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 | 6 | (1) ACD | |
| H Mga Tanggap | 11 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| Logp | -0.464 ± 0.636 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 367.36 |
(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 | 147 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
Magagamit ang spectra
13c nmr
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