ChemSpider 2D Image | MFCD11656127 | C27H41D3O

MFCD11656127

  • Molecular FormulaC27H41D3O
  • Average mass387.656 Da
  • Monoisotopic mass387.358032 Da
  • ChemSpider ID28638037

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,5Z,7E)-(6,19,19-2H3)-9,10-Secocholesta-5,7,10-trien-3-ol [German] [ACD/IUPAC Name]
(3S,5Z,7E)-(6,19,19-2H3)-9,10-Secocholesta-5,7,10-trien-3-ol [ACD/IUPAC Name]
(3S,5Z,7E)-(6,19,19-2H3)-9,10-Sécocholesta-5,7,10-trién-3-ol [French] [ACD/IUPAC Name]
200-578-6 [EINECS]
80666-48-4 [RN]
Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene-1-d]-4-(methylene-d2)-, (1S,3Z)- [ACD/Index Name]
Deuterated vitamin D3
MFCD11656127
Cholecalciferol [BAN] [USAN] [Wiki]
Vitamin D3 (6,19,19-d3)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 496.4±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 214.2±15.1 °C
Index of Refraction: 1.523
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.72
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1216243.50
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1216243.50
Polar Surface Area: 20 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 396.9±5.0 cm3

Click to predict properties on the Chemicalize site


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