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C30H30N2O8 uridine, 5'-o- [Bis (4-Methoxyphenyl) Phenylmethyl] - (9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 546.57 | - |
| Melting Point (ceribandin) | 111-112 ° C | Solvent: Ethyl acetate |
| Dendik (texmîn kirin) | 1.343 ± 0.06 G / CM3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 9.39 ± 0.10 | Temana herî acid: 25 ° C |
Canonical Smiles O = C1C = CN (C (= o) N1) C2OC (C4 = CC = CC = CC3) (OC) C4) C5 = CC) C5 = C5) C (O) C2O
Isomeric smiles c (oc [c @ h] 1o [c @ h] 1o) n2c (= o) c = c3) (c4 = cc = c = c4) c5 = cc = cc = C5
Inchi
Inchi = 1s / c30h30n2o8 / c1-20-20 (9-13-3-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (40-24) 32-
17-16-25 (33) 31-29 (32) 36 / H3-17,24,26-28,24,26h, 18h2,1-2h3, (H, 31,33,36) / T24-, 26-, 27-, 28- / M1 / S1
Keyeya Inchi
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4 navên din ên ji bo vê madeyê
5'-o- [Bis (4-metoxyphenyl) Phenylmethyl] Uridine (ACI); Uridine, 5'-o- [α, α-bis (P-Methoxyphenyl) Benzyl] - (7CI); 5'-Dimethoxytrityl uridine; 5'-o- (4,4'-Dimethoxytrityl) Uridine
| Taybetmendiyên berdest |
| Thermal |
Thermal
| Mal | Giranî | Rewş | Kanî | |
| Xala melting | 122-123 ° C | (1) cas | ||
| Xala melting | 111-112 ° C | Solvent: | Ethyl Acetate | (2) cas |
| Xala melting | Nivîsa tevahî bibînin | (3) cas | ||
(1) Zekri, Negar; Bultena Civaka Kîmyewî ya Etiyopyayê, (2010), 24 (2), 299-304, CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CALLY
(2) Patil, Premanand Ramrao; Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) khalafi-nezhad, ali; Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus
Spectra peyda dibe
1h nmr
13C nmr
Gel
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 904 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 904 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 904 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 904 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 904 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 904 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 900 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 861 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 602 | PH 9; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 156 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Solubilityê dorpêçkirî ya girseyî | 3.2 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility girseyî | 3.3 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.9 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.2 x 10-4 g / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 5.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.1 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.7 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.4 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-7 mol / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 546.57 | ||
| pka | 9.39 ± 0.10 | Temana herî acid: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.343 ± 0.06 G / CM3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 406.9 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 11 | (1) ACD | |
| H qebûlkar | 10 | (1) ACD | |
| H Donors | 3 | (1) ACD | |
| H Donor / Qedexe | 13 | (1) ACD | |
| logp | 4.192 ± 0.628 | Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Giraniya molekul | 546.57 | ||
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 127 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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