Found 3 results

Search term: MF = 'C_{16}H_{14}D_{5}N_{3}O_{5}S'
ChemSpider 2D Image | (2S,5R,6R)-6-[{(2R)-2-(~2~H_2_)Amino-2-[4-(~2~H)hydroxyphenyl]acetyl}(~2~H)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-(~2~H)carboxylic acid | C16H14D5N3O5S

(2S,5R,6R)-6-[{(2R)-2-(2H2)Amino-2-[4-(2H)hydroxyphenyl]acetyl}(2H)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-(2H)carboxylic acid

  • Molecular FormulaC16H14D5N3O5S
  • Average mass370.435 Da
  • Monoisotopic mass370.135925 Da
  • ChemSpider ID95601380

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,5R,6R)-6-[{(2R)-2-(2H2)Amino-2-[4-(2H)hydroxyphenyl]acetyl}(2H)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-(2H)carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-6-[{(2R)-2-(2H2)Amino-2-[4-(2H)hydroxyphenyl]acetyl}(2H)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-(2H)carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid-d, 6-[[(2R)-2-(amino-d2)-2-[4-(hydroxy-d)phenyl]acetyl]amino-d]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-6-[{(2R)-2-(2H2)amino-2-[4-(2H)hydroxyphényl]acétyl}(2H)amino]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-(2H)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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