ChemSpider 2D Image | coenzyme B(3-) | C11H19NO7PS

coenzyme B(3-)

  • Molecular FormulaC11H19NO7PS
  • Average mass340.311 Da
  • Monoisotopic mass340.063629 Da
  • ChemSpider ID26331263
  • 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-sulfanylheptanoyl)amino]butanoat [German] [ACD/IUPAC Name]
(2S,3R)-3-(Phosphonatooxy)-2-[(7-sulfanylheptanoyl)amino]butanoate [ACD/IUPAC Name]
(2S,3R)-3-(Phosphonatooxy)-2-[(7-sulfanylheptanoyl)amino]butanoate [French] [ACD/IUPAC Name]
coenzyme B(3-)
L-Threonine, N-(7-mercapto-1-oxoheptyl)-O-phosphono-, ion(3-) [ACD/Index Name]
Coenzyme B [Wiki]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability:
Surface Tension:
Molar Volume:

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