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Search term: C15H20O5S (Found by molecular formula)
ChemSpider 2D Image | [(3S,3aS,6aR,9aR,9bS)-6,9-Bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methanesulfonic acid | C15H20O5S

[(3S,3aS,6aR,9aR,9bS)-6,9-Bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methanesulfonic acid

  • Molecular FormulaC15H20O5S
  • Average mass312.381 Da
  • Monoisotopic mass312.103149 Da
  • ChemSpider ID28285255

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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[(3S,3aS,6aR,9aR,9bS)-6,9-Bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methanesulfonic acid [ACD/IUPAC Name]
[(3S,3aS,6aR,9aR,9bS)-6,9-Dimethylen-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methansulfonsäure [German] [ACD/IUPAC Name]
Acide [(3S,3aS,6aR,9aR,9bS)-6,9-diméthylène-2-oxododécahydroazuléno[4,5-b]furan-3-yl]méthanesulfonique [French] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-3-methanesulfonic acid, dodecahydro-6,9-bis(methylene)-2-oxo-, (3S,3aS,6aR,9aR,9bS)- [ACD/Index Name]
[(3S,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methanesulfonic acid
[(3S,3aS,6aR,9aR,9bS)-6,9-Dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methanesulfonic acid
[1016983-51-9] [RN]
1016983-51-9 [RN]
MFCD20260335
sulfocostunolide A

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: 1.571
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 233.1±5.0 cm3

Click to predict properties on the Chemicalize site


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