ChemSpider 2D Image | ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE | C10H13N5O9P2

ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE

  • Molecular FormulaC10H13N5O9P2
  • Average mass409.186 Da
  • Monoisotopic mass409.018860 Da
  • ChemSpider ID25057279

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aR,4R,6R,6aR)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3aR,4R,6R,6aR)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
Dihydrogénophosphate de [(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxydotétrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]méthyle [French] [ACD/IUPAC Name]
Furo[3,4-d]-1,3,2-dioxaphosphole-4-methanol, 6-(6-amino-9H-purin-9-yl)tetrahydro-2-hydroxy-, α-(dihydrogen phosphate), 2-oxide, (3aR,4R,6R,6aR)- [ACD/Index Name]
[(2S,3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate
4527-92-8 [RN]
AMP 2',3'-cyclic phosphate
O(2'),O(3')-hydroxyphosphoryl-O(5')-phosphono-adenosine
  • Miscellaneous

    • Chemical Class:

      A 2',3'-cyclic purine nucleotide that is AMP in which the hydroxy groups at the 2' and 3' positions have been converted into the corresponding cyclic phosphate. ChEBI CHEBI:40403
      A 2',3'-cyclic purine nucleotide that is AMP in which the hydroxy groups at the 2' and 3' positions have been converted to the corresponding cyclic phosphate. ChEBI CHEBI:40403

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

Density: 2.6±0.1 g/cm3
Boiling Point: 806.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.9±3.0 kJ/mol
Flash Point: 441.5±37.1 °C
Index of Refraction: 1.995
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 4
#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: 221 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 187.2±7.0 dyne/cm
Molar Volume: 154.5±7.0 cm3

Click to predict properties on the Chemicalize site


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