ChemSpider 2D Image | (2beta,3alpha,5alpha,9beta,16beta,17beta)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane | C32H53N2O4

(2β,3α,5α,9β,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane

  • Molecular FormulaC32H53N2O4
  • Average mass529.774 Da
  • Monoisotopic mass529.399963 Da
  • ChemSpider ID58131949

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3α,5α,9β,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,9β,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,9β,16β,17β)-17-Acétoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2-(4-morpholinyl)-16-[1-(2-propen-1-yl)-1-pyrrolidiniumyl]-, 17-acetate, (2β,3α,5α,9β,16β,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348967/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.84
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

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