ChemSpider 2D Image | (2S)-2-Ammonio-6-{[(2R)-1-{[(1R)-1-carboxylato-2-methylpropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]amino}-6-oxohexanoate | C14H24N3O6S

(2S)-2-Ammonio-6-{[(2R)-1-{[(1R)-1-carboxylato-2-methylpropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]amino}-6-oxohexanoate

  • Molecular FormulaC14H24N3O6S
  • Average mass362.422 Da
  • Monoisotopic mass362.139130 Da
  • ChemSpider ID26331251

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Ammonio-6-{[(2R)-1-{[(1R)-1-carboxylato-2-methylpropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]amino}-6-oxohexanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-6-{[(2R)-1-{[(1R)-1-carboxylato-2-methylpropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]amino}-6-oxohexanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-6-{[(2R)-1-{[(1R)-1-carboxylato-2-méthylpropyl]amino}-1-oxo-3-sulfanyl-2-propanyl]amino}-6-oxohexanoate [French] [ACD/IUPAC Name]
D-Valine, N-[(5S)-5-amino-5-carboxy-1-oxopentyl]-L-cysteinyl-, inner salt, ion(1-) [ACD/Index Name]
N-[(5S)-5-ammonio-5-carboxylatopentanoyl]-L-cysteinyl-D-valinate

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

Density:
Boiling Point: 718.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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