ChemSpider 2D Image | (3S,5Z,7E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secocholesta-5,7,10-trien-3-ol | C27H38D6O

(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-trien-3-ol

  • Molecular FormulaC27H38D6O
  • Average mass390.675 Da
  • Monoisotopic mass390.376892 Da
  • ChemSpider ID28637782

  • 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)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-trien-3-ol [German] [ACD/IUPAC Name]
(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-trien-3-ol [ACD/IUPAC Name]
(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Sécocholesta-5,7,10-trién-3-ol [French] [ACD/IUPAC Name]
Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R)-1-methyl-5-(methyl-d3)hexyl-6,6,6-d3]-4H-inden-4-ylidene]ethylidene]-, (1S,3Z)- [ACD/Index Name]
(1S,?3Z)?-4-?methylene-?3-?[(2E)?-?2-?[(1R,?3aS,?7aR)?-?octahydro-?7a-?methyl-?1-?[(1R)?-?1-?methyl-?5-?(methyl-?d3)?hexyl-?6,?6,?6-?d3]?-?4H-?inden-?4-?ylidene]?ethylidene]?-?Cyclohexanol
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
[118584-54-6] [RN]
118584-54-6 [RN]
CID 66577030
MFCD00078131 [MDL number]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      VD/VDR MedChem Express HY-15331
      VD3-D6(Vitamin D3-26,26,26,27,27,27-d6) is the deuterated form of Vitamin D3; tools for determination of Vitamin D3 metabolites in human serum. MedChem Express HY-15331
      Vitamin D Related MedChem Express HY-15331
      Vitamin D Related; MedChem Express HY-15331

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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