ChemSpider 2D Image | Rocuronium | C32H53N2O4

Rocuronium

  • Molecular FormulaC32H53N2O4
  • Average mass529.774 Da
  • Monoisotopic mass529.399963 Da
  • ChemSpider ID390053

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(morpholin-4-yl)-16-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]androstane
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acétoxy-16-(1-allyl-1-pyrrolidiniumyl)-3-hydroxy-2-(4-morpholinyl)androstane [French] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane
1-[(2b,3a,5a,16b,17b)-17-(Acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)pyrrolidinium
143558-00-3 [RN]
Androstane-3,17-diol, 2-(4-morpholinyl)-16-[1-(2-propen-1-yl)-1-pyrrolidiniumyl]-, 17-acetate, (2β,3α,5α,16β,17β)- [ACD/Index Name]
Rocuronium [Wiki]
UNII-WRE554RFEZ
More...

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

7155288 [DBID]
C07556 [DBID]
ORG-9426 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. ChEBI CHEBI:8884

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:

Click to predict properties on the Chemicalize site


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