ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-17-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane | C33H58N2O3

(2β,3α,5α,16β,17β)-3-Acetoxy-17-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane

  • Molecular FormulaC33H58N2O3
  • Average mass530.824 Da
  • Monoisotopic mass530.443665 Da
  • ChemSpider ID189302

  • 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,16β,17β)-3-Acetoxy-17-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3-Acetoxy-17-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3-Acétoxy-17-hydroxy-2,16-bis(1-méthyl-1-pipéridiniumyl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2,16-bis(1-methyl-1-piperidiniumyl)-, 3-acetate, (2β,3α,5α,16β,17β)- [ACD/Index Name]
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
43021-45-0 [RN]
Dacuronium
UNII:VD6L56ZVX1
UNII-VD6L56ZVX1

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: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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