ChemSpider 2D Image | amidocarboxymethyldethia coenzyme *a | C23H39N8O17P3

amidocarboxymethyldethia coenzyme *a

  • Molecular FormulaC23H39N8O17P3
  • Average mass792.520 Da
  • Monoisotopic mass792.164612 Da
  • ChemSpider ID392676

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R)-4-({3-[(4-Amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl dihydrogen di phosphate [ACD/IUPAC Name]
(3R)-4-({3-[(4-Amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyldihydrogendiph osphat [German] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[(3R)-4-[[3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-, 3'-(dihydrogen phosphate) [ACD/Index Name]
amidocarboxymethyldethia coenzyme *a
Dihydrogénodiphosphate de (3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-diméthyl-4-oxobutyle et de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahyd ro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
Amidocarboxymethyldethia Coenzyme A
AMX

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: 1.723
Molar Refractivity: 161.9±0.5 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.64
ACD/LogD (pH 5.5): -11.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 419 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 104.4±7.0 dyne/cm
Molar Volume: 408.5±7.0 cm3

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