![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)
| Vigtige fysiske egenskaber | Værdi | Tilstand |
| Molekylvægt | 546,57 | - |
| Smeltepunkt (eksperimentelt) | 111-112 °C | Opløsningsmiddel: Ethylacetat |
| Densitet (forudsagt) | 1,343 ± 0,06 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr |
| pKa (forudsagt) | 9,39±0,10 | Mest sure temperatur: 25 °C |
Kanoniske SMILES 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 SMILES 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
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-
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-nøgle
PCFSNQYXXACUHM-YULOIDQLSA-N
4 andre navne for dette stof
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridin (ACI); Uridin, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytrityluridin; 5′-O-(4,4′-Dimethoxytrityl)uridin
| Tilgængelige ejendomme |
| Termisk |
Termisk
| Ejendom | Værdi | Tilstand | Kilde | |
| Smeltepunkt | 122-123 °C | (1) CAS | ||
| Smeltepunkt | 111-112 °C | Opløsningsmiddel: | Ethylacetat | (2) CAS |
| Smeltepunkt | Se fuld tekst | (3) CAS | ||
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Preman og Ramrao; Tidsskrift for Kulhydratkemi, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Tetraederbreve, (2004), 45(36), 6737-6739, CAplus
Tilgængelige spektre
1H-NMR
13C NMR
Masse
| Tilgængelige ejendomme |
| Biologisk |
| Kemisk |
| Tæthed |
| Lipinski |
| Strukturrelateret |
Biologisk
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 904 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 904 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 900 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 861 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 602 | pH 9; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 156 | pH 10; Temperatur: 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; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 4540 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 4520 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 4330 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 3030 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 785 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 4.19 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 4.17 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 4.02 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,43 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,192±0,628 | Temperatur: 25 °C | (1) ACD |
| Masse iboende opløselighed | 3,2 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Masseopløselighed | 3,3 x 10-4 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,8 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,9 x 10-3 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,2 x 10-4 g/L | Ubufret vand pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molær intrinsisk opløselighed | 5,8 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 6,1 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 8,7 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,4 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,8 x 10-7 mol/L | Ubufret vand pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 546,57 | ||
| pKa | 9,39±0,10 | Mest sure temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tæthed
| Ejendom | Værdi | Tilstand | Kilde |
| Tæthed | 1,343 ± 0,06 g/cm3 | Temperatur: 20 °C; Tryk: 760 Torr | (1) ACD |
| Molært volumen | 406,9±3,0 cm3/mol | Temperatur: 20 °C; Tryk: 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 | Temperatur: 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)
Tilgængelige spektre
1H-NMR
13C NMR
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