ChemSpider 2D Image | Trypanothione | C27H47N9O10S2

Trypanothione

  • Molecular FormulaC27H47N9O10S2
  • Average mass721.846 Da
  • Monoisotopic mass721.288757 Da
  • ChemSpider ID102998
  • 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'-{[(4R,23R)-5,8,19,22-Tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosan-4,23-diyl]diimino}bis(2-amino-5-oxopentansäure) [German] [ACD/IUPAC Name]
(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-Tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) [ACD/IUPAC Name]
Acide (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tétraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotétracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoïque) [French] [ACD/IUPAC Name]
Oxidized trypanothione
Trypanothione [Wiki]
trypanothione disulfide
(2S)-2-amino-4-{[(4R,23R)-23-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5,8,19,22-tetrahydroxy-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosa-5,8,18,21-tetraen-4-yl]-C-hydroxycarbonimidoyl}bu
2')-disulfide
2-Amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1284.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 208.0±6.0 kJ/mol
Flash Point: 730.8±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.78
ACD/LogD (pH 5.5): -8.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 364 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 509.5±5.0 cm3

Click to predict properties on the Chemicalize site


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