There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | (3S,5Z,7E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secocholesta-5,7,10-triene-3,25-diol | C27H38D6O2


  • Molecular FormulaC27H38D6O2
  • Average mass406.674 Da
  • Monoisotopic mass406.371796 Da
  • ChemSpider ID28637807
  • 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-3,25-diol [German] [ACD/IUPAC Name]
(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-triene-3,25-diol [ACD/IUPAC Name]
(3S,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Sécocholesta-5,7,10-triène-3,25-diol [French] [ACD/IUPAC Name]
1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-ε,7a-dimethyl-α,α-di(methyl-d3)-, (εR,1R,3aS,4E,7aR)- [ACD/Index Name]
200-578-6 [EINECS]
78782-98-6 [RN]
MFCD00867077 [MDL number]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Calcifediol-D6 is the deuterated form of Calcifediol(25-hydroxy Vitamin D3), which is a prehormone that is produced in the liver by hydroxylation of vitamin D3 (cholecalciferol) by the enzyme cholecalciferol 25-hydroxylase ; IC50 value:; Target: ; This metabolite is being measured by physicians worldwide to determine a patient's vitamin d status.Calcifediol is then converted in the kidneys (by the enzyme 25(OH)D-1?-hydroxylase) into calcitriol (1,25-(OH)2D3), a secosteroid hormone that is the active form of vitamin D. MedChem Express HY-13332
      VD/VDR MedChem Express HY-13332
      Vitamin D Related MedChem Express HY-13332
      Vitamin D Related; MedChem Express HY-13332

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