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Calcifediol hydrate

Molecular FormulaC₂₇H₄₆O₃
Average mass418.652 Da
Monoisotopic mass418.344696 Da
ChemSpider ID4945556

- Double-bond stereo
- 5 of 5 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol hydrate

(3S,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3,25-diolhydrat (1:1) [German] [ACD/IUPAC Name]

(3S,5Z,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1) [ACD/IUPAC Name]

(3S,5Z,7E)-9,10-Sécocholesta-5,7,10-triène-3,25-diol, hydrate (1:1) [French] [ACD/IUPAC Name]

1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-α,α,ε,7a-tetramethyl-, (εR,1R,3aS,4E,7aR)-, hydrate (1:1) [ACD/Index Name]

63283-36-3 [RN]

Calcifediol hydrate

Calcifediol Monohydrate

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol hydrate

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol hydrate

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(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol hydrate

(1S,3Z)-3-[(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-methylidenecyclohexan-1-ol

(1S,3Z)-3-[(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-methylidenecyclohexan-1-ol hydrate

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol hydrate

(1S,3Z)-3-[(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-methylidenecyclohexan-1-ol;hydrate

(S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol hydrate

[63283-36-3] [RN]

25-hydroxy Vitamin D3 monohydrate

25-Hydroxycholecalciferol monohydrate

25-HYDROXYVITAMIN D3 HYDRATE

25-Hydroxyvitamin D3 monohydrate

25-Hydroxyvitamin D3 monohydrate|25-Hydroxycholecalciferol monohydrate

25-oh-vd3

63283-36-3??????

9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate

9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3β,5Z,7E)-

CALCIDIOL

Calcifediol [INN] [USP] [Wiki]

Calcifediol (monohydrate)

Calcifediol (USP/INN)

Calcifediol [USAN:INN:BAN] [INN] [USAN]

Calderol [Trade name]

Calderol (TN)

hydrate

MFCD08600001

Vitamin D3 25-hydroxy monohydrate

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

P6YZ13C99Q [DBID]

D00122 [DBID]

UNII:P6YZ13C99Q [DBID]

UNII-P6YZ13C99Q [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Experimental Physico-chemical Properties
- Experimental Solubility:
  
  Chloroform, Methanol MedChem Express HY-32351A
  
  DMSO 72 mg/mL; Water 70 mg/mL MedChem Express HY-32351A

Miscellaneous

Bio Activity:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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Calcifediol hydrate

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Experimental Solubility:

Bio Activity:

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