ChemSpider 2D Image | 6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C15H24N4O6S2

6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC15H24N4O6S2
  • Average mass420.504 Da
  • Monoisotopic mass420.113739 Da
  • ChemSpider ID25021296

More details:

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

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo- [ACD/Index Name]
6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-(1-hydroxyéthyl)-4-méthyl-7-oxo-3-({5-[(sulfamoylamino)méthyl]-3-pyrrolidinyl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
148016-81-3 [RN]
194798-83-9 [RN]
doripenem [INN] [USAN] [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

Click to predict properties on the Chemicalize site


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