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Search term: mycothione (Found by approved synonym)

ChemSpider 2D Image | Mycothione | C34H58N4O24S2

Mycothione

  • Molecular FormulaC34H58N4O24S2
  • Average mass970.967 Da
  • Monoisotopic mass970.288269 Da
  • ChemSpider ID10193007
  • defined stereocentres - 24 of 24 defined stereocentres


More details:






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

(2R,2'R)-3,3'-Disulfandiylbis{2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamid} (non-pre ferred name) [German] [ACD/IUPAC Name]
(2R,2'R)-3,3'-Disulfanediylbis{2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamide} (non-p referred name) [ACD/IUPAC Name]
(2R,2'R)-3,3'-Disulfanediylbis{2-acétamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxyméthyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tétrahydro-2H-pyran-3-yl]propanamide} (non-p referred name) [French] [ACD/IUPAC Name]
Mycothione
(2R,2'R)-3,3'-disulfanediylbis{2-(acetylamino)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamide}
2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide
6953243
MSSM
Mycothiol disulfide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1332.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 226.0±6.0 kJ/mol
Flash Point: 759.8±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 213.4±0.4 cm3
#H bond acceptors: 28
#H bond donors: 20
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.95
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 528 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 123.6±5.0 dyne/cm
Molar Volume: 545.1±5.0 cm3

Click to predict properties on the Chemicalize site






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