![C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-(9ci, ACI) na itinampok na imahe](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine.jpg)
C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-(9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 546.57 | - |
| Natutunaw na punto (eksperimentong) | 111-112 ° C. | Solvent: Ethyl acetate |
| Density (hinulaang) | 1.343 ± 0.06 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) C2O
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (O) [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/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36)/T24-, 26-, 27-, 28-/M1/S1
Inchi key
Pcfsnqyxxacuhm-yuloidqlsa-n
4 Iba pang mga pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] uridine (ACI); Uridine, 5′-O- [α, α-bis (p-methoxyphenyl) benzyl]-(7ci); 5′-dimethoxytrityl uridine; 5′-O- (4,4′-dimethoxytrityl) uridine
| Magagamit ang mga pag -aari |
| Thermal |
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan | |
| Natutunaw na punto | 122-123 ° C. | (1) Cas | ||
| Natutunaw na punto | 111-112 ° C. | Solvent: | Ethyl acetate | (2) Cas |
| Natutunaw na punto | Tingnan ang buong teksto | (3) Cas | ||
(1) Zekri, negar; Bulletin ng Chemical Society ng Ethiopia, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of Carbohydrate Chemistry, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letter, (2004), 45 (36), 6737-6739, Caplus
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 | 904 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 904 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 904 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 904 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 904 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 904 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 900 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 861 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 602 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 156 | 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 | 4550 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 4550 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 4550 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 4550 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 4550 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 4540 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 4520 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 4330 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 3030 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 785 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.19 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.17 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.43 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 4.192 ± 0.628 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 3.2 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.2 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Solubility ng Mass | 3.3 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.8 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 | 3.2 x 10-4 g/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 5.8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.8 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.1 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.7 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 | 5.8 x 10-7 mol/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 546.57 | ||
| 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 | 1.343 ± 0.06 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 406.9 ± 3.0 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 | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| Logp | 4.192 ± 0.628 | Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molekular na timbang | 546.57 | ||
(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 | 127 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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