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C30H30N2O8 Uridine, 5′-O- [BIS (4-metoxýfenýl) fenýlmetýl]-(9ci, ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 546.57 | - |
| Bræðslumark (tilrauna) | 111-112 ° C. | Leysir: Etýlasetat |
| Þéttleiki (spáð) | 1,343 ± 0,06 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) C2O
Isomeric bros C (OC [C@H] 1O [C@H] ([C@H] (O) [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/C30H30N2O8/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) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35H, 18H2,1-2H3, (H, 31,33,36)/T24-, 26-, 27-, 28-/m1/s1
Inchi lykill
Pcfsnqyxxacuhm-yuloidqlsa-n
4 önnur nöfn fyrir þetta efni
5′-O- [BIS (4-metoxýfenýl) fenýlmetýl] uridín (ACI); Uridine, 5′-O- [α, α-BIS (P-metoxýfenýl) bensýl]-(7ci); 5′-dimethoxytrityyl uridine; 5′-O- (4,4′-dimethoxytrityl) uridine
| Eignir í boði |
| Hitauppstreymi |
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta | |
| Bræðslumark | 122-123 ° C. | (1) Cas | ||
| Bræðslumark | 111-112 ° C. | Leysir: | Etýlasetat | (2) Cas |
| Bræðslumark | Sjá fullan texta | (3) Cas | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24 (2), 299-304, Caplus
(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
Litróf í boði
1H NMR
13c nmr
Messa
| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 904 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 904 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 904 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 904 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 904 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 904 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 861 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 602 | pH 9; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 156 | 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 | 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 |
| Massa eðlislægni | 3,2 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,2 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Massa leysni | 3,3 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 4,8 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 | 3,2 x 10-4 g/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 5,8 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,8 x 10-7 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 6,1 x 10-7 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,7 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 | 5,8 x 10-7 mól/l | Óbifað vatn pH 6,99; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 546.57 | ||
| 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 | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 406,9 ± 3,0 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 | 3 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 13 | (1) ACD | |
| logp | 4.192 ± 0,628 | Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Mólmassa | 546.57 | ||
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 127 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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