ChemSpider 2D Image | D-gamma-Glutamyl-S-[(5Z,8beta,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dien-9-yl]-L-cysteinylglycine | C30H47N3O10S

D-γ-Glutamyl-S-[(5Z,8β,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dien-9-yl]-L-cysteinylglycine

  • Molecular FormulaC30H47N3O10S
  • Average mass641.773 Da
  • Monoisotopic mass641.298218 Da
  • ChemSpider ID35032567

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

D-γ-Glutamyl-S-[(5Z,8β,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dien-9-yl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
D-γ-Glutamyl-S-[(5Z,8β,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dien-9-yl]-L-cysteinylglycine [ACD/IUPAC Name]
D-γ-Glutamyl-S-[(5Z,8β,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dién-9-yl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
Glycine, D-γ-glutamyl-S-[(5Z,8β,12E,15S)-1,15-dihydroxy-1,11-dioxoprosta-5,12-dien-9-yl]-L-cysteinyl- [ACD/Index Name]
(5Z)-7-[(1S,2E)-5-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-(carboxymethylcarbamoyl)ethyl]sulfanyl}-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
(5Z)-7-[(1S,2E)-5-{[(2R)-2-[(4R)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
S-(9-deoxy-δ9,12-PGD2)-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: 991.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.9±6.0 kJ/mol
Flash Point: 553.5±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 491.7±5.0 cm3

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