Found 1 result

Search term: OC(=O)[C@@H]1C[C@@H]2CC[C@H](C[C@@H]2N1)OS(O)(=O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S,3aS,6R,7aS)-6-(Sulfooxy)octahydro-1H-indole-2-carboxylic acid | C9H15NO6S

(2S,3aS,6R,7aS)-6-(Sulfooxy)octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC9H15NO6S
  • Average mass265.284 Da
  • Monoisotopic mass265.062012 Da
  • ChemSpider ID59051919

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aS,6R,7aS)-6-(Sulfooxy)octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3aS,6R,7aS)-6-(Sulfooxy)octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, octahydro-6-(sulfooxy)-, (2S,3aS,6R,7aS)- [ACD/Index Name]
Acide (2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 56.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 168.4±5.0 cm3

Click to predict properties on the Chemicalize site


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