ChemSpider 2D Image | 3-Thiaglutaryl-Coa | C25H40N7O19P3S2

3-Thiaglutaryl-Coa

  • Molecular FormulaC25H40N7O19P3S2
  • Average mass899.672 Da
  • Monoisotopic mass899.103333 Da
  • ChemSpider ID25057352

  • defined stereocentres - 5 of 5 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-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosa n-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-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosa n-23-säure-3,5-dioxid [German] [ACD/IUPAC Name]
3-Thiaglutaryl-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-trihydroxy-8,8-diméthyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza -3,5-diphosphatricosan-23-oïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(3R)-16-carboxy-3-hydroxy-2,2-dimethyl-4,8,13-trioxo-12,15-dithia-5,9-diazahexadec-1-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
TGC

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: 1.730
Molar Refractivity: 186.5±0.5 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -3.43
ACD/LogD (pH 5.5): -11.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 481 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 102.5±7.0 dyne/cm
Molar Volume: 467.0±7.0 cm3

Click to predict properties on the Chemicalize site


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