ChemSpider 2D Image | 3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA | C32H52N7O20P3S

3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA

  • Molecular FormulaC32H52N7O20P3S
  • Average mass979.776 Da
  • Monoisotopic mass979.220093 Da
  • ChemSpider ID10140132

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-21-(4-methyl-3-penten-1-yl)-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,1 5-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide [ACD/IUPAC Name]
(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-21-(4-methyl-3-penten-1-yl)-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,1 5-diaza-3,5-diphosphatricosan-23-säure-3,5-dioxid [German] [ACD/IUPAC Name]
3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
Acide (9R) 3,5-dioxyde de 1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9,21-tétrahydroxy-8,8-diméthyl-21-(4-méthyl-3-pentén-1-yl)-10,14,19-trioxo-2,4, 6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[[3-(carboxymethyl)-3-hydroxy-7-methyl-1-oxo-6-octen-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosph inyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
3-[2-({2-[(3-{[(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-oxoethyl]-3
3-hydroxy-3-(4-methylpent-3-en-1-yl)-glutaryl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxymethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

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

CHEBI:15483 [DBID]
  • Miscellaneous

    • Chemical Class:

      The <stereo>S</stereo>-3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl derivative of CoA. ChEBI CHEBI:15483
      The S-3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl derivative of CoA. ChEBI CHEBI:15483

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 212.0±0.5 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -9.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability: 84.0±0.5 10-24cm3
Surface Tension: 84.1±7.0 dyne/cm
Molar Volume: 565.4±7.0 cm3

Click to predict properties on the Chemicalize site


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