ChemSpider 2D Image | N-Acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine | C15H24N2O7S

N-Acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine

  • Molecular FormulaC15H24N2O7S
  • Average mass376.425 Da
  • Monoisotopic mass376.130432 Da
  • ChemSpider ID21106450

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl]carbonyl]- [ACD/Index Name]
N-Acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1R)-1-hydroxy-2-méthylpropyl]-4-méthyl-5-oxo-2-pyrrolidinyl}carbonyl)-L-cystéine [French] [ACD/IUPAC Name]
L-Cysteine, N-acetyl-, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylate (ester), [2R-[2α,2(S*),3α,4.]]-

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

nchembio.79-comp34 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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