ChemSpider 2D Image | (14R,19R,24R)-1,24-Diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-o
ic acid | C34H66N12O10S2

(14R,19R,24R)-1,24-Diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-o ic acid

  • Molecular FormulaC34H66N12O10S2
  • Average mass867.092 Da
  • Monoisotopic mass866.446655 Da
  • ChemSpider ID396047
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(14R,19R,24R)-1,24-Diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-o ic acid [ACD/IUPAC Name]
(14R,19R,24R)-1,24-Diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-s äure [German] [ACD/IUPAC Name]
Acide (14R,19R,24R)-1,24-diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoéthyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tétraazapentacosa n-25-oïque [French] [ACD/IUPAC Name]
GLUTATHIONYLSPERMIDINE DISULFIDE
TS4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1288.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 208.8±6.0 kJ/mol
Flash Point: 733.3±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 221.6±0.3 cm3
#H bond acceptors: 22
#H bond donors: 18
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -10.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 428 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 676.4±3.0 cm3

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