![118 RE36H44N2O8SI uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![118 RE36H44N2O8SI URIDINE, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, aci) na itinampok na imahe](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine.jpg)
118 RE36H44N2O8SI uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, aci)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 660.83 | - |
| Density (hinulaang) | 1.24 ± 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) C2O [SI] (C) (C) C (C) (C) C.
Ngumiti si Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (o [Si] (c (c) (c) c) (c) c) [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/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 41) 23-44-36 (24-11-9-8-10-12-24,25-13- 17-27 (42-4) 18-14-25) 26-15-19-28 (43-5) 20-16-26/H8-22,29,31-33,40H, 23H2,1-7H3, (H, 37,39,41)/T29-, 31-, 32-, 33-/M1/S1
Inchi key
Kvhqielphwjpsy-wxqjyutrsa-n
2 Iba pang mga pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] uridine (ACI); 2′-O-tert-butyldimethylsilyl-5′-o- (4,4′- Dimethoxytrityl) uridine
Magagamit ang spectra
1h nmr
13c nmr
Hetero nmr
Mass
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 2.21 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.21 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.20 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2.12 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.54 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 42500 | 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 | 2.33 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 2.32 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 2.23 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1.62 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 44800 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 7.32 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 7.18 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 6.62 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 7.334 ± 0.643 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 3.5 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.6 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.0 x 10-5 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.9 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.5 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 5.3 x 10-8 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.5 x 10-8 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 7.6 x 10-8 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.8 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-8 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 660.83 | ||
| 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 | 1.24 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 528.8 ± 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 | 13 | (1) ACD | |
| H Mga Tanggap | 10 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 12 | (1) ACD | |
| Logp | 7.334 ± 0.643 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 660.83 |
(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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