ChemSpider 2D Image | Succinyl-CoA | C25H40N7O19P3S

Succinyl-CoA

  • Molecular FormulaC25H40N7O19P3S
  • Average mass867.607 Da
  • Monoisotopic mass867.131226 Da
  • ChemSpider ID83179

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Succinyl-CoA [Wiki]
(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-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-o ic 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-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-s äure-3,5-dioxid [German] [ACD/IUPAC Name]
210-079-5 [EINECS]
604-98-8 [RN]
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-trihydroxy-8,8-diméthyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5- diphosphadocosan-22-oïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[[2-[(3-carboxy-1-oxopropyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
S-(3-Carboxy-propionyl)-coenzym-A
S-(3-carboxypropionyl)-coenzyme-A
S-(hydrogen succinyl)-CoA
More...

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

CHEBI:15380 [DBID]
RRT [DBID]
  • Miscellaneous

    • Chemical Class:

      An <locant>omega</locant>-carboxyacyl-CoA having succinoyl as the <stereo>S</stereo>-acyl component. ChEBI CHEBI:15380
      An omega-carboxyacyl-CoA having succinoyl as the S-acyl component. ChEBI CHEBI:15380

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: 1.720
Molar Refractivity: 178.7±0.5 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -4.09
ACD/LogD (pH 5.5): -11.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 456 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 101.5±7.0 dyne/cm
Molar Volume: 452.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement