ChemSpider 2D Image | ADP-D-ribose 1'',2''-cyclic phosphate | C15H22N5O16P3

ADP-D-ribose 1'',2''-cyclic phosphate

  • Molecular FormulaC15H22N5O16P3
  • Average mass621.280 Da
  • Monoisotopic mass621.027466 Da
  • ChemSpider ID23106974

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5'-O-[{[{[(3aR,5R,6R,6aR)-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-[{[{[(3aR,5R,6R,6aR)-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-[{[{[(3aR,5R,6R,6aR)-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[[(3aR,5R,6R,6aR)-tetrahydro-2,6-dihydroxy-2-oxidofuro[2,3-d]-1,3,2-dioxaphosphol-5-yl]methoxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
ADP-D-ribose 1'',2''-cyclic phosphate
adenosine 5'-[3-(1,2-O-phospho-α-D-ribofuranos-5-O-yl) dihydrogen diphosphate]
ADP-ribose 1'',2''-cyclic phosphate
ADP-ribose 1''-2'' cyclic phosphate

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

7562061 [DBID]

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

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