ChemSpider 2D Image | 5'-O-[{[{[(5R)-2,6-Dihydroxy-2-oxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | C15H22N5O16P3

5'-O-[{[{[(5R)-2,6-Dihydroxy-2-oxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC15H22N5O16P3
  • Average mass621.280 Da
  • Monoisotopic mass621.027466 Da
  • ChemSpider ID35032086

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

5'-O-[{[{[(5R)-2,6-Dihydroxy-2-oxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[{[{[(5R)-2,6-Dihydroxy-2-oxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[{[{[(5R)-2,6-Dihydroxy-2-oxydotétrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy[[hydroxy[[(5R)-tetrahydro-2,6-dihydroxy-2-oxidofuro[2,3-d]-1,3,2-dioxaphosphol-5-yl]methoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(5R)-2,6-dihydroxy-2-oxo-tetrahydro-1,3,4,2λ5-furo[2,3-d][1,3,2λ5]dioxaphosphol-5-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
Adenosine diphosphate ribose 1"-2" cyclic phosphate
ADP Ribose 1'',2''-phosphate
ADP-Ribose 1 ,2 -cyclic phosphate
ADP-Ribose 1' ,2' -cyclic phosphate
ADP-ribose 1"-2" cyclic phosphate

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1001.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.1±3.0 kJ/mol
Flash Point: 559.7±37.1 °C
Index of Refraction: 1.932
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 336 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 181.5±7.0 dyne/cm
Molar Volume: 234.9±7.0 cm3

Click to predict properties on the Chemicalize site


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