ChemSpider 2D Image | (2S,3R)-3-(Phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoate | C13H22NO10PS3

(2S,3R)-3-(Phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoate

  • Molecular FormulaC13H22NO10PS3
  • Average mass479.485 Da
  • Monoisotopic mass479.016541 Da
  • ChemSpider ID26331163

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-(Phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoat [German] [ACD/IUPAC Name]
(2S,3R)-3-(Phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoate [ACD/IUPAC Name]
(2S,3R)-3-(Phosphonatooxy)-2-({7-[(2-sulfonatoéthyl)disulfanyl]heptanoyl}amino)butanoate [French] [ACD/IUPAC Name]
L-Threonine, N-[1-oxo-7-[(2-sulfoethyl)dithio]heptyl]-O-phosphono-, ion(4-) [ACD/Index Name]
(2S,3S)-3-(phosphonatooxy)-2-({7-[(2-sulfonatoethyl)disulfanyl]heptanoyl}amino)butanoate
coenzyme M-coenzyme B heterodisulfide
CoM-S-S-CoB(4-)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -6.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability:
Surface Tension:
Molar Volume:

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