ChemSpider 2D Image | (6aR,8R,9R,9aS)-8-(6-Amino-7,8-dihydro-9H-purin-9-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadiphosphocine-2,4,9-triol 2,4-dioxide | C10H15N5O9P2

(6aR,8R,9R,9aS)-8-(6-Amino-7,8-dihydro-9H-purin-9-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadiphosphocine-2,4,9-triol 2,4-dioxide

  • Molecular FormulaC10H15N5O9P2
  • Average mass411.202 Da
  • Monoisotopic mass411.034485 Da
  • ChemSpider ID114547188

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,8R,9R,9aS) 2,4-Dioxyde de 8-(6-amino-7,8-dihydro-9H-purin-9-yl)tétrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadiphosphocine-2,4,9-triol [French] [ACD/IUPAC Name]
(6aR,8R,9R,9aS)-8-(6-Amino-7,8-dihydro-9H-purin-9-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadiphosphocin-2,4,9-triol-2,4-dioxid [German] [ACD/IUPAC Name]
(6aR,8R,9R,9aS)-8-(6-Amino-7,8-dihydro-9H-purin-9-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadiphosphocine-2,4,9-triol 2,4-dioxide [ACD/IUPAC Name]
6H-Furo[3,2-f]-1,3,5,2,4-trioxadiphosphocin-9-ol, 8-(6-amino-7,8-dihydro-9H-purin-9-yl)tetrahydro-2,4-dihydroxy-, 2,4-dioxide, (6aR,8R,9R,9aS)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 772.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.9±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 1
#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: 218 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 205.7±5.0 cm3

Click to predict properties on the Chemicalize site


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