ChemSpider 2D Image | (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol | C10H14N5O13P3

(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol

  • Molecular FormulaC10H14N5O13P3
  • Average mass505.165 Da
  • Monoisotopic mass504.980103 Da
  • ChemSpider ID61714700

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(2R,4R,6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(2R,4R,6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(2R,4R,6R)-2-hydroxy-2,4-dioxydo-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-[(6R)-2-hydroxy-2,4-dioxydo-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphinan-6-yl]tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
3,4-Furandiol, 2-(6-amino-9H-purin-9-yl)tetrahydro-5-[(2R,4R,6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphorinan-6-yl]-, (2R,3R,4S,5S)- [ACD/Index Name]
3,4-Furandiol, 2-(6-amino-9H-purin-9-yl)tetrahydro-5-[(6R)-2-hydroxy-2,4-dioxido-4-(phosphonooxy)-1,3,5,2,4-trioxadiphosphorinan-6-yl]-, (2R,3R,4S,5S)- [ACD/Index Name]
Adenosine-5'-triphosphate
ATP

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

Density: 2.9±0.1 g/cm3
Boiling Point: 896.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 496.0±37.1 °C
Index of Refraction: 2.022
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#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: 298 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 238.0±7.0 dyne/cm
Molar Volume: 173.1±7.0 cm3

Click to predict properties on the Chemicalize site


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