ChemSpider 2D Image | (R)-2-hydroxyglutaryl-CoA | C26H42N7O20P3S

(R)-2-hydroxyglutaryl-CoA

  • Molecular FormulaC26H42N7O20P3S
  • Average mass897.633 Da
  • Monoisotopic mass897.141785 Da
  • ChemSpider ID2340016

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(9R,20R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,20-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatri cosan-23-oic acid 3,5-dioxide [ACD/IUPAC Name]
(9R,20R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,20-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatri cosan-23-säure-3,5-dioxid [German] [ACD/IUPAC Name]
(R)-2-hydroxyglutaryl-CoA
111769-66-5 [RN]
Acide (9R,20R) 3,5-dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9,20-tétrahydroxy-8,8-diméthyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-d iaza-3,5-diphosphatricosan-23-oïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[(2R)-4-carboxy-2-hydroxy-1-oxobutyl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrog en phosphate) [ACD/Index Name]
Coenzyme A, S-[5-hydrogen (2R)-2-hydroxypentanedioate]
(R)-2-hydroxyglutaryl-coenzyme A
2-Hydroxyglutaryl-1-coa
2-Hydroxyglutaryl-1-coenzyme A
More...
  • Miscellaneous

    • Chemical Class:

      A hydroxyglutaryl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (<stereo>R</stereo>)-2-hydroxyglutaric acid. ChEBI CHEBI:134246
      A hydroxyglutaryl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxyglutaric acid. ChEBI CHEBI:134246

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 184.1±0.5 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -4.32
ACD/LogD (pH 5.5): -11.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 102.2±7.0 dyne/cm
Molar Volume: 465.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement