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Search term: GDIBDBUYVICGLY-VVFBGWIOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (23S)-23,25,26-trihydroxycalciol | C27H44O4

(23S)-23,25,26-trihydroxycalciol

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID21865455

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(23S)-23,25,26-trihydroxycalciol
(3S,5Z,7E,23S)-9,10-Secocholesta-5,7,10-trien-3,23,25,26-tetrol [German] [ACD/IUPAC Name]
(3S,5Z,7E,23S)-9,10-Secocholesta-5,7,10-triene-3,23,25,26-tetrol [ACD/IUPAC Name]
(3S,5Z,7E,23S)-9,10-Sécocholesta-5,7,10-triène-3,23,25,26-tétrol [French] [ACD/IUPAC Name]
1,2,4-Heptanetriol, 2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-, (4S,6R)- [ACD/Index Name]
(23S)-23,25,26-trihydroxycholecalciferol
23S,25,26(OH)3D3
23S,25,26-trihydroxycholecalciferol
23S,25,26-trihydroxyvitamin D3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 262.4±24.7 °C
Index of Refraction: 1.560
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1377.32
ACD/KOC (pH 5.5): 6144.97
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1377.32
ACD/KOC (pH 7.4): 6144.97
Polar Surface Area: 81 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 389.2±5.0 cm3

Click to predict properties on the Chemicalize site


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