ChemSpider 2D Image | 3-[(5E)-5,6-Dideoxy-6-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribo-hex-5-enofuranosyl]-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine | C10H17N6O12P3

3-[(5E)-5,6-Dideoxy-6-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribo-hex-5-enofuranosyl]-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

  • Molecular FormulaC10H17N6O12P3
  • Average mass506.196 Da
  • Monoisotopic mass506.011719 Da
  • ChemSpider ID34548760

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-[(5E)-5,6-Dideoxy-6-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribo-hex-5-enofuranosyl]-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [ACD/IUPAC Name]
3-[(5E)-5,6-Didesoxy-6-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribo-hex-5-enofuranosyl]-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amin [German] [ACD/IUPAC Name]
3-[(5E)-5,6-Didésoxy-6-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribo-hex-5-énofuranosyl]-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine [French] [ACD/IUPAC Name]
3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-[(5E)-5,6-dideoxy-6-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribo-hex-5-enofuranosyl]-6,7-dihydro- [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 901.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 499.3±37.1 °C
Index of Refraction: 1.941
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -6.44
ACD/LogD (pH 5.5): -11.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 205.5±7.0 dyne/cm
Molar Volume: 190.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement