ChemSpider 2D Image | (2S,3S)-sulfated pterosin C | C14H18O6S

(2S,3S)-sulfated pterosin C

  • Molecular FormulaC14H18O6S
  • Average mass314.354 Da
  • Monoisotopic mass314.082397 Da
  • ChemSpider ID26647446

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-sulfated pterosin C
1H-Inden-1-one, 2,3-dihydro-3-hydroxy-2,5,7-trimethyl-6-[2-(sulfooxy)ethyl]-, (2S,3S)- [ACD/Index Name]
2-[(1S,2S)-1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hydrogen sulfate [ACD/IUPAC Name]
2-[(1S,2S)-1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 2-[(1S,2S)-1-hydroxy-2,4,6-triméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl]éthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

Click to predict properties on the Chemicalize site


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