![C30H29FN2O7 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-deoxý-2′-flúoró- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-deoxý-2′-flúoró- (9ci, ACI) var með mynd.](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-deoxý-2′-flúoró- (9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 548.56 | - |
| Bræðslumark (tilrauna) | 118-120 ° C. | - |
| Þéttleiki (spáð) | 1,38 ± 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) C2F
Isomeric bros 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
Tommur
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 lykill
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 annað nafn fyrir þetta efni
5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] -2′-deoxý-2′-flúorouridin (ACI)
Eignir í boði
Hitauppstreymi
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Bræðslumark | 118-120 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Capus
Litróf í boði
1H NMR
13c nmr
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| 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) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| 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 |
| Massa eðlislægni | 9,9 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 9,9 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,4 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 5,0 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Massa leysni | 9,9 x 10-5 g/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 1,8 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,5 x 10-7 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 9,2 x 10-7 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 1,8 x 10-7 mól/l | Óbifað vatn pH 7,00; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 548.56 | ||
| 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 | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 395,8 ± 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 | 10 | (1) ACD | |
| H samþykki | 9 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 11 | (1) ACD | |
| logp | 4.979 ± 0,563 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 548.56 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 107 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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