ChemSpider 2D Image | (3R,5Z,7E,24R)-3,25-Dihydroxy-9,10-secoergosta-5,7,10-trien-1-one | C28H44O3

(3R,5Z,7E,24R)-3,25-Dihydroxy-9,10-secoergosta-5,7,10-trien-1-one

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID24823397

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,5Z,7E,24R)-3,25-Dihydroxy-9,10-secoergosta-5,7,10-trien-1-on [German] [ACD/IUPAC Name]
(3R,5Z,7E,24R)-3,25-Dihydroxy-9,10-secoergosta-5,7,10-trien-1-one [ACD/IUPAC Name]
(3R,5Z,7E,24R)-3,25-Dihydroxy-9,10-sécoergosta-5,7,10-trién-1-one [French] [ACD/IUPAC Name]
Cyclohexanone, 5-hydroxy-2-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(4R)-5-hydroxy-1,4,5-trimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (3Z,5R)- [ACD/Index Name]
(5Z,7E)-(3R)-1-oxo-9,10-seco-5,7,10(19)-campestatrien-3-ol
1-Keto-24-methyl-25-hydroxycholecalciferol
Carcinomedin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 314.6±26.6 °C
Index of Refraction: 1.538
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14415.63
ACD/KOC (pH 5.5): 32997.48
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14415.63
ACD/KOC (pH 7.4): 32997.48
Polar Surface Area: 58 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 407.6±5.0 cm3

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