ChemSpider 2D Image | (R)-2-hydroxy-4-methylpentanoyl-CoA | C27H46N7O18P3S

(R)-2-hydroxy-4-methylpentanoyl-CoA

  • Molecular FormulaC27H46N7O18P3S
  • Average mass881.677 Da
  • Monoisotopic mass881.183289 Da
  • ChemSpider ID25944913
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(R)-2-hydroxy-4-methylpentanoyl-CoA
(2R)-2-hydroxy-4-methylpentanoyl-CoA
(2R)-2-hydroxy-4-methylpentanoyl-coenzyme A
(R)-2-hydroxy-4-methylpentanoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-2-methylpentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • Miscellaneous
    • Chemical Class:

      A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (<stereo>R</stereo>)-2-hydroxy-4-methylpentanoic acid. ChEBI CHEBI:87433

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 186.7±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -9.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 485.7±7.0 cm3

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