ChemSpider 2D Image | (3beta,5alpha,13alpha,14beta,16E,17beta)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylene]androstane-3,17-diol | C28H38O5

(3β,5α,13α,14β,16E,17β)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylene]androstane-3,17-diol

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID62320102

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,13α,14β,16E,17β)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylen]androstan-3,17-diol [German] [ACD/IUPAC Name]
(3β,5α,13α,14β,16E,17β)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylene]androstane-3,17-diol [ACD/IUPAC Name]
(3β,5α,13α,14β,16E,17β)-16-[(7-Méthoxy-1,3-benzodioxol-5-yl)méthylène]androstane-3,17-diol [French] [ACD/IUPAC Name]
(3β,5β,13α,14β,16E,17α)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylen]androstan-3,17-diol [German] [ACD/IUPAC Name]
(3β,5β,13α,14β,16E,17α)-16-[(7-Methoxy-1,3-benzodioxol-5-yl)methylene]androstane-3,17-diol [ACD/IUPAC Name]
(3β,5β,13α,14β,16E,17α)-16-[(7-Méthoxy-1,3-benzodioxol-5-yl)méthylène]androstane-3,17-diol [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 16-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-, (3β,5α,13α,14β,16E,17β)- [ACD/Index Name]
Androstane-3,17-diol, 16-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-, (3β,5β,13α,14β,16E,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3579.95
ACD/KOC (pH 5.5): 12174.73
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3579.95
ACD/KOC (pH 7.4): 12174.73
Polar Surface Area: 68 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 371.1±3.0 cm3

Click to predict properties on the Chemicalize site


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