Found 7 results

Search term: MF = 'C_{16}H_{15}D_{4}N_{3}O_{5}S'
ChemSpider 2D Image | 6-({Amino[4-hydroxy(~2~H_4_)phenyl]acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C16H15D4N3O5S

6-({Amino[4-hydroxy(2H4)phenyl]acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC16H15D4N3O5S
  • Average mass369.429 Da
  • Monoisotopic mass369.129639 Da
  • ChemSpider ID44211209

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-amino-2-(4-hydroxyphenyl-2,3,5,6-d4)acetyl]amino]-3,3-dimethyl-7-oxo- [ACD/Index Name]
6-({Amino[4-hydroxy(2H4)phenyl]acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
6-({Amino[4-hydroxy(2H4)phenyl]acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-({2-amino-2-[4-hydroxy(2H4)phényl]acétyl}amino)-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.3±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 236.2±5.0 cm3

Click to predict properties on the Chemicalize site


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