ChemSpider 2D Image | (2S,5Z)-2-Amino-5-{[(1S,4Z)-1-carboxy-4-{[(1S)-1-carboxy-2-(methylsulfanyl)ethyl]imino}-4-hydroxybutyl]imino}-5-hydroxypentanoic acid (non-preferred name) | C14H23N3O8S

(2S,5Z)-2-Amino-5-{[(1S,4Z)-1-carboxy-4-{[(1S)-1-carboxy-2-(methylsulfanyl)ethyl]imino}-4-hydroxybutyl]imino}-5-hydroxypentanoic acid (non-preferred name)

  • Molecular FormulaC14H23N3O8S
  • Average mass393.413 Da
  • Monoisotopic mass393.120575 Da
  • ChemSpider ID59696869

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5Z)-2-Amino-5-{[(1S,4Z)-1-carboxy-4-{[(1S)-1-carboxy-2-(methylsulfanyl)ethyl]imino}-4-hydroxybutyl]imino}-5-hydroxypentanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S,5Z)-2-Amino-5-{[(1S,4Z)-1-carboxy-4-{[(1S)-1-carboxy-2-(methylsulfanyl)ethyl]imino}-4-hydroxybutyl]imino}-5-hydroxypentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S,5Z)-2-amino-5-{[(1S,4Z)-1-carboxy-4-{[(1S)-1-carboxy-2-(méthylsulfanyl)éthyl]imino}-4-hydroxybutyl]imino}-5-hydroxypentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-4-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}butanoic acid
(γ-Glutamyl-γ-glutamyl)-S-methylcysteine
102148-93-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 89.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 256.1±7.0 cm3

Click to predict properties on the Chemicalize site


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