1alpha,2beta,25-trihydroxy vitamin D3
Grundinformationen
- CAS
147088-10-6- Standard-SMILES
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
JGIYYEHLYUOKSD-FQKVRLMOSA-N- Summenformel
- C27H44O4
- Durchschnittliche Molmasse
- 432,6 g/mol
Überblick
1alpha,2beta,25-trihydroxy vitamin D3 is a hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1alpha, 2beta and 25. It has a role as a human metabolite. It is a steroid hormone, a tertiary alcohol, a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of D3 vitamins. It is functionally related to a calciol.
Namen und Bezeichner
- Bevorzugter Name
- 1alpha,2beta,25-trihydroxy vitamin D3
- IUPAC
- (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2,3-triol
- Englischer Name
- AIDI API Impurities
- Summenformel
- C27H44O4
- Molmasse
- 432.64
Namen und Synonyme
1alpha,2beta,25-trihydroxy vitamin D31alpha,2beta,25-trihydroxycholecalciferolEldecalcitol Impurity 231alpha,2beta,25(OH)3D3CHEBI:873951alpha,2beta,25-(OH)3 vitamin D31alpha,2beta,25-(OH)3 cholecalciferolQ27159588(1R,2R,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,2,3,25-tetrol(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2,3-triol147088-10-6Aldicalcohol impurity 2
Weitere Namen anzeigen
Aldicalcohol impurity 231,2,3-Cyclohexanetriol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,2R,3R,5Z)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 80,9 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 721
Physikochemische Eigenschaften
- Siedepunkt
- 567.5 · 567.5±50.0 °C(Predicted)
- Dichte
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 13.87 · 13.87±0.60(Predicted)
Chemie und Industrie
Anbieter3 Anbieter
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
苏州皓海医药科技有限公司13810165869 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…