ChemSpider 2D Image | D-gamma-Glutamyl-S-[(12alpha,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-en-11-yl]-D-cysteinylglycine | C30H51N3O10S

D-γ-Glutamyl-S-[(12α,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-en-11-yl]-D-cysteinylglycine

  • Molecular FormulaC30H51N3O10S
  • Average mass645.805 Da
  • Monoisotopic mass645.329529 Da
  • ChemSpider ID35032568

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

D-γ-Glutamyl-S-[(12α,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-en-11-yl]-D-cysteinylglycin [German] [ACD/IUPAC Name]
D-γ-Glutamyl-S-[(12α,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-en-11-yl]-D-cysteinylglycine [ACD/IUPAC Name]
D-γ-Glutamyl-S-[(12α,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-én-11-yl]-D-cystéinylglycine [French] [ACD/IUPAC Name]
Glycine, D-γ-glutamyl-S-[(12α,13E,15S)-1,9,15-trihydroxy-1-oxoprost-13-en-11-yl]-D-cysteinyl- [ACD/Index Name]
11-(S-Glutathionyl)-9-hydroxyprostaglandin A(,1)
7-[(1R,2S)-3-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid
7-[(1R,2S)-3-{[(2S)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid
GSOHPGA1
S-(9-hydroxy-PGA1)-glutathione

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 965.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.5±6.0 kJ/mol
Flash Point: 537.9±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 500.2±5.0 cm3

Click to predict properties on the Chemicalize site


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