ChemSpider 2D Image | (2S,5R,6R)-6-[(4-Hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C15H14I2N2O5S

(2S,5R,6R)-6-[(4-Hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC15H14I2N2O5S
  • Average mass588.156 Da
  • Monoisotopic mass587.871277 Da
  • ChemSpider ID129524

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5R,6R)-6-[(4-Hydroxy-3,5-diiodbenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-[(4-Hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-6-[(4-hydroxy-3,5-diiodobenzoyl)amino]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-6-(4-Hydroxy-3,5-diiodobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-[(4-HYDROXY-3,5-DIIODO-BENZOYL)AMINO]-3,3-DIMETHYL-7-OXO- 4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((4-hydroxy-3,5-diiodobenzoyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2α,5α,6β))-
6-(4-Hydroxy-3,5-diiodobenzamido)penicilloic acid
94887-73-7 [RN]
Ohdibp

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

Density: 2.3±0.1 g/cm3
Boiling Point: 612.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.803
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 96.6±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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