ChemSpider 2D Image | Ethyl (1beta,5alpha,8alpha,9beta,11beta,17beta)-1,5,11,14,19-pentahydroxy-3-oxoandrostane-17-carboxylate | C22H34O8

Ethyl (1β,5α,8α,9β,11β,17β)-1,5,11,14,19-pentahydroxy-3-oxoandrostane-17-carboxylate

  • Molecular FormulaC22H34O8
  • Average mass426.501 Da
  • Monoisotopic mass426.225372 Da
  • ChemSpider ID62306573

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,5β,9β,10α,11α,13α,14β,17α)-1,5,11,14,19-Pentahydroxy-3-oxoandrostane-17-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(1β,5α,8α,9β,11β,17β)-1,5,11,14,19-Pentahydroxy-3-oxoandrostane-17-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Androstane-17-carboxylic acid, 1,5,11,14,19-pentahydroxy-3-oxo-, ethyl ester, (1α,5β,9β,10α,11α,13α,14β,17α)- [ACD/Index Name]
Androstane-17-carboxylic acid, 1,5,11,14,19-pentahydroxy-3-oxo-, ethyl ester, (1β,5α,8α,9β,11β,17β)- [ACD/Index Name]
Ethyl (1α,5β,9β,10α,11α,13α,14β,17α)-1,5,11,14,19-pentahydroxy-3-oxoandrostane-17-carboxylate [ACD/IUPAC Name]
Ethyl (1β,5α,8α,9β,11β,17β)-1,5,11,14,19-pentahydroxy-3-oxoandrostane-17-carboxylate [ACD/IUPAC Name]
Ethyl-(1α,5β,9β,10α,11α,13α,14β,17α)-1,5,11,14,19-pentahydroxy-3-oxoandrostan-17-carboxylat [German] [ACD/IUPAC Name]
Ethyl-(1β,5α,8α,9β,11β,17β)-1,5,11,14,19-pentahydroxy-3-oxoandrostan-17-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 213.2±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.44
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.44
Polar Surface Area: 145 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

Click to predict properties on the Chemicalize site


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