ChemSpider 2D Image | [(5beta,8alpha,9beta,10alpha,12alpha,15beta)-15,18-Dihydroxy-18-oxoatisan-17-yl](methyl)sulfoniumolate | C21H34O4S

[(5β,8α,9β,10α,12α,15β)-15,18-Dihydroxy-18-oxoatisan-17-yl](methyl)sulfoniumolate

  • Molecular FormulaC21H34O4S
  • Average mass382.557 Da
  • Monoisotopic mass382.217773 Da
  • ChemSpider ID28512068

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(5β,8α,9β,10α,12α,15β)-15,18-Dihydroxy-18-oxoatisan-17-yl](methyl)sulfoniumolat [German] [ACD/IUPAC Name]
[(5β,8α,9β,10α,12α,15β)-15,18-Dihydroxy-18-oxoatisan-17-yl](methyl)sulfoniumolate [ACD/IUPAC Name]
[(5β,8α,9β,10α,12α,15β)-15,18-Dihydroxy-18-oxoatisan-17-yl](méthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Atisan-18-oic acid, 15-hydroxy-17-(hydroxymethylsulfonio)-, inner salt, (5β,8α,9β,10α,12α,15β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 81 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 304.7±5.0 cm3

Click to predict properties on the Chemicalize site


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