ChemSpider 2D Image | (2E,4E,6R)-6-[(1R,3R,7E,17beta)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]-N-hydroxy-4-methyl-2,4-heptadienamide | C26H39NO4

(2E,4E,6R)-6-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]-N-hydroxy-4-methyl-2,4-heptadienamide

  • Molecular FormulaC26H39NO4
  • Average mass429.592 Da
  • Monoisotopic mass429.287903 Da
  • ChemSpider ID26597088
  • 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

(2E,4E,6R)-6-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]-N-hydroxy-4-methyl-2,4-heptadienamid [German] [ACD/IUPAC Name]
(2E,4E,6R)-6-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]-N-hydroxy-4-methyl-2,4-heptadienamide [ACD/IUPAC Name]
(2E,4E,6R)-6-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-sécoestra-5,7-dién-17-yl]-N-hydroxy-4-méthyl-2,4-heptadiénamide [French] [ACD/IUPAC Name]
2,4-Heptadienamide, 6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-N-hydroxy-4-methyl-, (2E,4E,6R)- [ACD/Index Name]
957214-00-5 [RN]
Triciferol

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.05
ACD/KOC (pH 5.5): 3896.92
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 710.68
ACD/KOC (pH 7.4): 3798.73
Polar Surface Area: 90 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

Click to predict properties on the Chemicalize site






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