![C30H29FN2O7 uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI) na itinampok na imahe](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 548.56 | - |
| Natutunaw na punto (eksperimentong) | 118-120 ° C. | - |
| Density (hinulaang) | 1.38 ± 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) C2F
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (F) [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/C30H29FN2O7/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) 39-18-24-27 (35) 26 (31) 28 (40-24) 33
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35H, 18H2,1-2H3, (H, 32,34,36)/T24-, 26-, 27-, 28-/M1/S1
Inchi key
Cssfzsszxoccjb-yuloidqlsa-n
1 iba pang pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′-fluorouridine (ACI)
Magagamit ang mga pag -aari
Thermal
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Natutunaw na punto | 118-120 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Caplus
Magagamit ang spectra
1h nmr
13c nmr
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 3580 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3580 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3580 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3580 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3580 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3580 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3570 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3430 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2500 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 689 | 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 | 12200 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 12200 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 12200 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 12200 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 12200 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 12200 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 12100 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 11700 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 8480 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 2340 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.96 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.82 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.26 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 4.979 ± 0.563 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 9.9 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 9.9 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.4 x 10-4 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.0 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Solubility ng Mass | 9.9 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.5 x 10-7 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 9.2 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 548.56 | ||
| 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 | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 395.8 ± 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 | 10 | (1) ACD | |
| H Mga Tanggap | 9 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 11 | (1) ACD | |
| Logp | 4.979 ± 0.563 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 548.56 |
(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 | 107 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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