![C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9c i, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9c I, ACI) na itinampok na imahe](https://cdn.globalso.com/nvchem/C31H32N2O8-Uridine.jpg)
C31H32N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyl- (9c i, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 560.60 | - |
| Density (hinulaang) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C1C = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) 28 (39-3) 29 (41-25)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35H, 19H2,1-3H3, (H, 32,34,36)/T25-, 27-, 28-, 29-/m1/s1
Inchi key
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 Iba pang mga pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methyluridine (ACI); 5′-O- (4,4′-dimethoxytrityl) -2′-o-methyluridine
Magagamit ang spectra
1h nmr
Mass
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 1240 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1240 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1240 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1240 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1240 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1240 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1230 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1190 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 861 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 238 | 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 | 5690 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 5690 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 5670 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 5450 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 3960 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1100 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.37 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.35 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.21 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 4.372 ± 0.582 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 3.7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.8 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.3 x 10-4 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.9 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.7 x 10-4 g/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 6.6 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 6.6 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.8 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 9.4 x 10-7 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.4 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.6 x 10-7 mol/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 560.60 | ||
| PKA | 9.39 ± 0.10 | Karamihan sa acidic 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 | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 412.9 ± 5.0 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 | 11 | (1) ACD | |
| H Mga Tanggap | 10 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 12 | (1) ACD | |
| Logp | 4.372 ± 0.582 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 560.60 |
(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 | 116 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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