ChemSpider 2D Image | penicillin v ?-sulfoxide | C16H18N2O6S

penicillin v ?-sulfoxide

  • Molecular FormulaC16H18N2O6S
  • Average mass366.389 Da
  • Monoisotopic mass366.088562 Da
  • ChemSpider ID58828439

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-2-Carboxy-3,3-diméthyl-7-oxo-6-[(2-phénoxyacétyl)amino]-4-thionia-1-azabicyclo[3.2.0]heptan-4-olate [French] [ACD/IUPAC Name]
(2S,5R,6R)-2-Carboxy-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thionia-1-azabicyclo[3.2.0]heptan-4-olat [German] [ACD/IUPAC Name]
(2S,5R,6R)-2-Carboxy-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thionia-1-azabicyclo[3.2.0]heptan-4-olate [ACD/IUPAC Name]
33069-20-4 [RN]
4-Thionia-1-azabicyclo[3.2.0]heptane, 2-carboxy-4-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, inner salt, (2S,5R,6R)- [ACD/Index Name]
penicillin v ?-sulfoxide
PENICILLIN V α-SULFOXIDE

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

Z848SM3L6R [DBID]
UNII:Z848SM3L6R [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#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: 119 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 82.6±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

Click to predict properties on the Chemicalize site


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