ChemSpider 2D Image | CHAPSO | C32H58N2O8S

CHAPSO

  • Molecular FormulaC32H58N2O8S
  • Average mass630.877 Da
  • Monoisotopic mass630.391357 Da
  • ChemSpider ID108944

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-[3-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]propyl]-, inner salt [ACD/Index Name]
3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonate
3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-2-HYDROXY-1-PROPANESULFONATE
3-([3-Cholamidopropyl]dimethylammonio)-2-hydroxy-1-propanesulfonate
3-({3-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]propyl}dimethylazaniumyl)-2-hydroxypropane-1-sulfonate
3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate
3-[Dimethyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate [ACD/IUPAC Name]
3-[Diméthyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propanesulfonate [French] [ACD/IUPAC Name]
3-[Dimethyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxy-1-propansulfonat [German] [ACD/IUPAC Name]
3-[Dimethyl(3-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]-2-hydroxypropane-1-sulfonate
More...

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

5842642 [DBID]
C3649_SIGMA [DBID]
C4695_SIGMA [DBID]

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: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.39
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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