ChemSpider 2D Image | MFCD11656440 | C27H41D3O3

MFCD11656440

  • Molecular FormulaC27H41D3O3
  • Average mass419.655 Da
  • Monoisotopic mass419.347870 Da
  • ChemSpider ID28638002

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,3R,5Z,7E)-(6,19,19-2H3)-9,10-Secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E)-(6,19,19-2H3)-9,10-Secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(1S,3R,5Z,7E)-(6,19,19-2H3)-9,10-Sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-(methylene-d2)-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene-1-d]-, (1R,3S,5Z)- [ACD/Index Name]
128723-16-0 [RN]
1α,25-Dihydroxycholecalciferol (6,19,19-d3)
200-578-6 [EINECS]
Calcitriol (6,19,19-d3)
MFCD11656440
1,25-Dihydroxyvitamin-D3-[2H3]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 238.4±24.7 °C
Index of Refraction: 1.547
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11141.07
ACD/KOC (pH 5.5): 27439.70
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11141.07
ACD/KOC (pH 7.4): 27439.70
Polar Surface Area: 61 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement