ChemSpider 2D Image | 2-(S-Glutathionyl)acetyl glutathione | C22H34N6O13S2

2-(S-Glutathionyl)acetyl glutathione

  • Molecular FormulaC22H34N6O13S2
  • Average mass654.668 Da
  • Monoisotopic mass654.162537 Da
  • ChemSpider ID10128367

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,7R,14R,19S)-2,19-Diamino-7,14-bis[(carboxymethyl)carbamoyl]-5,10,16-trioxo-9,12-dithia-6,15-diazaicosan-1,20-disäure [German] [ACD/IUPAC Name]
(2S,7R,14R,19S)-2,19-Diamino-7,14-bis[(carboxymethyl)carbamoyl]-5,10,16-trioxo-9,12-dithia-6,15-diazaicosane-1,20-dioic acid [ACD/IUPAC Name]
2-(S-Glutathionyl)acetyl glutathione
Acide (2S,7R,14R,19S)-2,19-diamino-7,14-bis[(carboxyméthyl)carbamoyl]-5,10,16-trioxo-9,12-dithia-6,15-diazaicosane-1,20-dioïque [French] [ACD/IUPAC Name]
(2S)-2-amino-4-{[(1R)-2-[(2-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]sulfanyl}acetyl)sulfanyl]-1-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid
(2S)-2-amino-4-{[(1R)-2-[(2-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}acetyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimi
(2S)-2-amino-5-(2R)-3-2-(2R)-2-(4S)-4-amino-4-carboxybutanoylamino-3-(carboxymethylamino)-3-oxopropylsulfanyl-2-oxoethylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-ylamino-5-oxopentanoic acid
(2S,7R,14R,19S)-2,19-Diamino-7,14-bis(carboxymethyl)carbamoyl-5,10,16-trioxo-9,12-dithia-6,15-diazaicosane-1,20-dioic acid (non-preferred name)

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

C14863 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1211.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 194.6±6.0 kJ/mol
Flash Point: 686.5±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -7.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 385 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 80.3±3.0 dyne/cm
Molar Volume: 427.8±3.0 cm3

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