ChemSpider 2D Image | (1S,3R,5Z,7E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secocholesta-5,7,10-triene-1,3-diol | C27H38D6O2

(1S,3R,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-triene-1,3-diol

  • Molecular FormulaC27H38D6O2
  • Average mass406.674 Da
  • Monoisotopic mass406.371796 Da
  • ChemSpider ID28637781

  • 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)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-trien-1,3-diol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Secocholesta-5,7,10-triene-1,3-diol [ACD/IUPAC Name]
(1S,3R,5Z,7E)-(26,26,26,27,27,27-2H6)-9,10-Sécocholesta-5,7,10-triène-1,3-diol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(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]-, (1R,3S,5Z)- [ACD/Index Name]
(1R,?3S,?5Z)?-4-?methylene-?5-?[(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]?-?1,?3-?Cyclohexanediol
(1R,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol
[1641940-94-4] [RN]
1641940-94-4 [RN]
Alfacalcidol-D6
MFCD22417103
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Alfacalcidol-D6, a deuterated Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3), is a non-selective VDR activator medication. MedChem Express HY-15332
      Alfacalcidol-D6, a deuterated Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3), is a non-selective VDR activator medication. ;IC50 value: ;Target: VDR activatorAlfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) improves mechanical bone strength and bone mass; suppresses osteoclastic bone resorption in vivo. MedChem Express HY-15332
      VD/VDR MedChem Express HY-15332
      Vitamin D Related MedChem Express HY-15332
      Vitamin D Related; MedChem Express HY-15332

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

Density: 1.0±0.1 g/cm3
Boiling Point: 531.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 222.6±24.7 °C
Index of Refraction: 1.534
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: 8.31
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 341337.16
ACD/KOC (pH 5.5): 317853.03
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 341337.16
ACD/KOC (pH 7.4): 317853.03
Polar Surface Area: 40 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

Click to predict properties on the Chemicalize site


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