ChemSpider 2D Image | MFCD11656128 | C27H41D3O2

MFCD11656128

  • Molecular FormulaC27H41D3O2
  • Average mass403.655 Da
  • Monoisotopic mass403.352966 Da
  • ChemSpider ID28638011
  • 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-3,25-diol [German] [ACD/IUPAC Name]
(3S,5Z,7E)-(6,19,19-2H3)-9,10-Secocholesta-5,7,10-triene-3,25-diol [ACD/IUPAC Name]
(3S,5Z,7E)-(6,19,19-2H3)-9,10-Sécocholesta-5,7,10-triène-3,25-diol [French] [ACD/IUPAC Name]
140710-94-7 [RN]
1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-(methylene-d2)cyclohexylidene]ethylidene-2-d]-α,α,ε,7a-tetramethyl-, (εR,1R,3aS,4E,7aR)- [ACD/Index Name]
200-578-6 [EINECS]
25-HYDROXYCHOLECALCIFEROL (6,19,19-D3)
25-Hydroxycholecalciferol (6,19,19-d3) solution
25-Hydroxycholecalciferol D3-D3
25-Hydroxyergocalciferol D3-D3
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 529.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 221.4±20.0 °C
Index of Refraction: 1.536
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 7.00
ACD/BCF (pH 5.5): 122535.14
ACD/KOC (pH 5.5): 152670.42
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 122535.14
ACD/KOC (pH 7.4): 152670.42
Polar Surface Area: 40 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

Click to predict properties on the Chemicalize site






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