ChemSpider 2D Image | 5'-O-[{[{[(3R,4Z)-3,4-Dihydroxy-4-({(3Z)-3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-O-[5-O-(hydroxy{[hydroxy(phosphonooxy)p hosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]adenosine | C26H46N7O26P5S

5'-O-[{[{[(3R,4Z)-3,4-Dihydroxy-4-({(3Z)-3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-O-[5-O-(hydroxy{[hydroxy(phosphonooxy)p hosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]adenosine

  • Molecular FormulaC26H46N7O26P5S
  • Average mass1059.609 Da
  • Monoisotopic mass1059.090088 Da
  • ChemSpider ID26333227

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5'-O-[{[{[(3R,4Z)-3,4-Dihydroxy-4-({(3Z)-3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-O-[5-O-(hydroxy{[hydroxy(phosphonooxy)p ;hosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[(3R,4Z)-3,4-Dihydroxy-4-({(3Z)-3-hydroxy-3-[(2-sulfanylethyl)imino]propyl}imino)-2,2-dimethylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-O-[5-O-(hydroxy{[hydroxy(phosphonooxy)p ;hosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[(3R,4Z)-3,4-Dihydroxy-4-({(3Z)-3-hydroxy-3-[(2-sulfanyléthyl)imino]propyl}imino)-2,2-diméthylbutyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-O-[5-O-(hydroxy{[hydroxy(phosphonooxy)p ;hosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[[[(3R,4Z)-3,4-dihydroxy-4-[[(3Z)-3-hydroxy-3-[(2-mercaptoethyl)imino]propyl]imino]-2,2-dimethylbutyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-2'-O-[5-O-[hydroxy[[hydroxy(phospho ;nooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
2'-(5-triphospho-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
2'-(5''-triphosphoribosyl)-3'-dephospho-CoA
2'-(5-triphosphoribosyl)-3'-dephospho-CoA
2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-
2-5-Triphosphoribosyl-3-dephospho-CoA
Adenosine, 5'-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]oxy]phosphinyl]oxy]phosphinyl]-2'-O-[5-O-[hydroxy[[hydroxy(phosphonooxy)phos phinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.758
Molar Refractivity: 202.1±0.5 cm3
#H bond acceptors: 33
#H bond donors: 14
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -7.13
ACD/LogD (pH 5.5): -14.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 586 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 122.7±7.0 dyne/cm
Molar Volume: 492.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement