Found 1 result

Search term: 2-hydroxyisobutanoyl-CoA (Found by approved synonym)
ChemSpider 2D Image | 2-hydroxyisobutanoyl-CoA | C25H42N7O18P3S

2-hydroxyisobutanoyl-CoA

  • Molecular FormulaC25H42N7O18P3S
  • Average mass853.623 Da
  • Monoisotopic mass853.151978 Da
  • ChemSpider ID35035202

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Hydroxy-2-méthylpropanethioate de S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4,6 ;-trioxa-11,15-diaza-3λ5,5λ5-diphosphaheptadécan-17-yle} (non-preferred name) [French] [ACD/IUPAC Name]
2-hydroxyisobutanoyl-CoA
Adenosine, 5'-O-[(R)-hydroxy[[(R)-hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[(2-hydroxy-2-methyl-1-oxopropyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihyd rogen phosphate) [ACD/Index Name]
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5lamb da5-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate (non-preferred name) [ACD/IUPAC Name]
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3λ5,5lamb da5-diphosphaheptadecan-17-yl}-2-hydroxy-2-methylpropanthioat (non-preferred name) [German] [ACD/IUPAC Name]
2-hydroxyisobutanoyl-coenzyme A
2-hydroxyisobutyryl-CoA
2-hydroxyisobutyryl-coenzyme A
3KK
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
More...
  • Miscellaneous

    • Chemical Class:

      A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisobutanoic acid. ChEBI CHEBI:132116

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: 1.703
Molar Refractivity: 178.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -10.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 94.4±7.0 dyne/cm
Molar Volume: 459.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement