![C30H30N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl]-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H30N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl]-(9CI, ACI) Fremhævet billede](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine.jpg)
C30H30N2O8 Uridin, 5′-O- [BIS (4-methoxyphenyl) phenylmethyl]-(9CI, ACI)
| Nøgle fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 546.57 | - |
| Smeltepunkt (eksperimentelt) | 111-112 ° C. | Opløsningsmiddel: Ethylacetat |
| Densitet (forudsagt) | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr |
| PKA (forudsagt) | 9,39 ± 0,10 | Mest sure temp: 25 ° C |
Kanoniske smil 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
Isomere smil 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 = C5
Inchi
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) 32-21) 39-18-24-26 (34) 27 (35) 28 (40-24) 32-2-2-21
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 Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 andre navne på dette stof
5′-O- [BIS (4-methoxyphenyl) phenylmethyl] uridin (ACI); Uridin, 5′-O- [α, a-Bis (P-methoxyphenyl) benzyl]-(7CI); 5′-dimethoxytrityyl uridin; 5′-O- (4,4′-dimethoxytrityyl) uridin
| Tilgængelige egenskaber |
| Termisk |
Termisk
| Ejendom | Værdi | Tilstand | Kilde | |
| Smeltepunkt | 122-123 ° C. | (1) Cas | ||
| Smeltepunkt | 111-112 ° C. | Opløsningsmiddel: | Ethylacetat | (2) Cas |
| Smeltepunkt | Se fuldtekst | (3) Cas | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Etiopia, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of Carbohydrat Chemistry, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45 (36), 6737-6739, Caplus
Spektre tilgængelige
1H NMR
13c NMR
Masse
| Tilgængelige egenskaber |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 904 | pH 1; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 2; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 3; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 4; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 5; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 6; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 900 | pH 7; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 861 | pH 8; Temp: 25 ° C. | (1) ACD |
| Biokoncentrationsfaktor | 602 | pH 9; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 156 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 3,2 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Masseopløselighed | 3,3 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 4,8 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 1,9 x 10-3 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molær iboende opløselighed | 5,8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 6,1 x 10-7 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 8,7 x 10-7 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 3,4 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/l | Ubuffet vand pH 6,99; Temp: 25 ° C. | (1) ACD |
| Molekylvægt | 546.57 | ||
| PKA | 9,39 ± 0,10 | Mest sure temp: 25 ° C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Ejendom | Værdi | Tilstand | Kilde |
| Densitet | 1,343 ± 0,06 g/cm3 | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
| Molvolumen | 406,9 ± 3,0 cm3/mol | Temp: 20 ° C; Tryk på: 760 Torr | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 11 | (1) ACD | |
| H acceptorer | 10 | (1) ACD | |
| H donorer | 3 | (1) ACD | |
| H donor/acceptor sum | 13 | (1) ACD | |
| Logp | 4.192 ± 0,628 | Temp: 25 ° C. | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molekylvægt | 546.57 | ||
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Polært overfladeareal | 127 A2 | (1) ACD | |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektre tilgængelige
1H NMR
13c NMR
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