C30H30N2O8 URIDINE, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-(9Ci, ACI)
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 546.57 | - |
Toddi (arbrofol) | 111-112 ° C. | Toddydd: asetad ethyl |
Dwysedd (a ragwelir) | 1.343 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 9.39 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. |
Gwên Canonaidd 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
Gwên isomerig 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 = C = C1) C4) = C
Inchi
Inchi = 1s/c30h30n2o8/c1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27- 40) 28 (35) 28 (32 424
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
Allwedd inchi
Pcfsnqyxxacuhm-yuLoidQlsa-n
4 Enw Eraill ar gyfer y Sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] wridine (ACI); Wridine, 5'-o- [α, α-bis (p-methoxyphenyl) benzyl]-(7ci); Wridin 5'-dimethoxytrityl; 5'-o- (4,4'-dimethoxytrityl) Uridine
Eiddo ar gael |
Thermol |
Thermol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell | |
Pwynt toddi | 122-123 ° C. | (1) CAS | ||
Pwynt toddi | 111-112 ° C. | Toddydd: | Asetad ethyl | (2) CAS |
Pwynt toddi | Gweler Testun Llawn | (3) CAS |
(1) Zekri, Negar; Bwletin Cymdeithas Cemegol Ethiopia, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Cylchgrawn Cemeg Carbohydrad, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-nezhad, Ali; Llythyrau Tetrahedron, (2004), 45 (36), 6737-6739, Caplus
Sbectra ar gael
1h nmr
13c nmr
Torfol
Eiddo ar gael |
Biolegol |
Gemegol |
Ddwysedd |
Lipinski |
Strwythur yn gysylltiedig |
Biolegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 904 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 904 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 904 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 904 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 904 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 904 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 900 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 861 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 602 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 156 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Gemegol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
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 |
log | 4.19 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | 4.19 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | 4.17 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | 4.02 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | 3.43 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | 4.192 ± 0.628 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 3.2 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd torfol | 3.3 x 10-4 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.8 x 10-4 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 1.9 x 10-3 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 3.2 x 10-4 g/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 5.8 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 6.1 x 10-7 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 8.7 x 10-7 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 3.4 x 10-6 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 5.8 x 10-7 mol/l | Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 546.57 | ||
PKA | 9.39 ± 0.10 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Ddwysedd
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ddwysedd | 1.343 ± 0.06 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 406.9 ± 3.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 11 | (1) ACD | |
H Derbynyddion | 10 | (1) ACD | |
H rhoddwyr | 3 | (1) ACD | |
H rhoddwr/derbynnydd swm | 13 | (1) ACD | |
logio | 4.192 ± 0.628 | TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Pwysau moleciwlaidd | 546.57 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Strwythur yn gysylltiedig
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Arwynebedd pegynol | 127 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1h nmr
13c nmr