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C31H32N2O8 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýl- (9C I, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 560.60 | - |
| Þéttleiki (spáð) | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 9,39 ± 0,10 | Sýrtasta temp: 25 ° C |
Canonical bros 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 bros 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
Tommur
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 lykill
MfdhavfjdSrpkc-yxinzvnlsa-n
2 önnur nöfn fyrir þetta efni
5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-O-metýlúraidín (ACI); 5′-O- (4,4′-dímetoxýtritýl) -2′-O-metýlúradín
Litróf í boði
1H NMR
Messa
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| 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) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| 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 |
| Eign | Gildi | Ástand | Uppspretta |
| 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 |
| Massa eðlislægni | 3,7 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,3 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,7 x 10-4 g/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 6,6 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 6,6 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,8 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,4 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,4 x 10-6 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,6 x 10-7 mól/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 560.60 | ||
| PKA | 9,39 ± 0,10 | Sýrtasta temp: 25 ° C | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1,35 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 412,9 ± 5,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 11 | (1) ACD | |
| H samþykki | 10 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 12 | (1) ACD | |
| logp | 4.372 ± 0,582 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 560.60 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 116 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
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