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ChemSpider 2D Image | Glutathione disulfide | C20H32N6O12S2

Glutathione disulfide

  • Molecular FormulaC20H32N6O12S2
  • Average mass612.631 Da
  • Monoisotopic mass612.151978 Da
  • ChemSpider ID58835
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S)-5,5'-[Disulfandiylbis({(2R)-3-[(carboxymethyl)amino]-3-oxo-1,2-propandiyl}imino)]bis(2-amino-5-oxopentansäure) [German] [ACD/IUPAC Name]
(2S,2'S)-5,5'-[Disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxo-1,2-propanediyl}imino)]bis(2-amino-5-oxopentanoic acid) [ACD/IUPAC Name]
(2S,2'S)-5,5'-[Disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid) (non-preferred name)
(2S,5Z,2'S,5'E)-5,5'-[Disulfandiylbis({(2R,3Z)-3-[(carboxymethyl)imino]-3-hydroxy-1,2-propandiyl}nitrilo)]bis(2-amino-5-hydroxypentansäure) (non-preferred name) [German] [ACD/IUPAC Name]
(2S,5Z,2'S,5'E)-5,5'-[Disulfanediylbis({(2R,3Z)-3-[(carboxymethyl)imino]-3-hydroxy-1,2-propanediyl}nitrilo)]bis(2-amino-5-hydroxypentanoic acid) (non-preferred name) [ACD/IUPAC Name]
248-170-7 [EINECS]
27025-41-8 [RN]
Acide (2S,2'S)-5,5'-[disulfanediylbis({(2R)-3-[(carboxyméthyl)amino]-3-oxo-1,2-propanediyl}imino)]bis(2-amino-5-oxopentanoïque) [French] [ACD/IUPAC Name]

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

49740_FLUKA [DBID]
49741_FLUKA [DBID]
AIDS169460 [DBID]
AIDS-169460 [DBID]
bmse000170 [DBID]
C00127 [DBID]
CHEBI:17858 [DBID]
D00031 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1196.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 191.9±6.0 kJ/mol
Flash Point: 677.4±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 368 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

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