Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 | C31H52O5

1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID7826551

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,3R,5Z,7E)-2-(4-Hydroxybutoxy)-9,10-secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(1R,2R,3R,5Z,7E)-2-(4-Hydroxybutoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(1R,2R,3R,5Z,7E)-2-(4-Hydroxybutoxy)-9,10-sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 2-(4-hydroxybutoxy)-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)- [ACD/Index Name]
1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3
(5Z,7E)-(1R,2R,3R)-2-(4-hydroxybutoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1α,25-dihydroxy-2β-(4-hydroxybutoxy)cholecalciferol
1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 / 1α,25-dihydroxy-2β-(4-hydroxybutoxy)cholecalciferol

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

LMST03020508 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8571.84
ACD/KOC (pH 5.5): 22744.95
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8571.84
ACD/KOC (pH 7.4): 22744.92
Polar Surface Area: 90 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 460.1±5.0 cm3

Click to predict properties on the Chemicalize site


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