ChemSpider 2D Image | DCFBC | C16H19FN2O7S

DCFBC

  • Molecular FormulaC16H19FN2O7S
  • Average mass402.395 Da
  • Monoisotopic mass402.089691 Da
  • ChemSpider ID25059183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

40R868KZFF
564482-79-7 [RN]
Acide N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]éthyl}carbamoyl)-L-glutamique [French] [ACD/IUPAC Name]
DCFBC
L-Glutamic acid, N-[[[(1R)-1-carboxy-2-[[(4-fluorophenyl)methyl]thio]ethyl]amino]carbonyl]- [ACD/Index Name]
N-({(1R)-1-Carboxy-2-[(4-fluorbenzyl)sulfanyl]ethyl}carbamoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-({(1R)-1-Carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-({[(1R)-1-carboxy-2-{[(4-fluorophenyl)methyl]sulfanyl}ethyl]carbamoyl}amino)pentanedioic acid
(2S)-2-[[(1R)-1-carboxy-2-[(4-fluorophenyl)methylsulfanyl]ethyl]carbamoylamino]pentanedioic acid
FBD
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 732.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

Click to predict properties on the Chemicalize site


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