ChemSpider 2D Image | (2xi)-3,4,6-Tri-O-acetyl-1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-deoxy-D-ribo-hexitol | C17H21N5O8

(2ξ)-3,4,6-Tri-O-acetyl-1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-deoxy-D-ribo-hexitol

  • Molecular FormulaC17H21N5O8
  • Average mass423.377 Da
  • Monoisotopic mass423.139008 Da
  • ChemSpider ID58792055

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-3,4,6-Tri-O-acetyl-1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-deoxy-D-ribo-hexitol [ACD/IUPAC Name]
(2ξ)-3,4,6-Tri-O-acetyl-1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-desoxy-D-ribo-hexitol [German] [ACD/IUPAC Name]
(2ξ)-3,4,6-Tri-O-acétyl-1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-désoxy-D-ribo-hexitol [French] [ACD/IUPAC Name]
D-ribo-Heξtol, 1-(2-amino-6-hydroxy-9H-purin-9-yl)-2,5-anhydro-1-deoxy-, 3,4,6-triacetate, (2ξ)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 663.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 355.0±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 254.7±7.0 cm3

Click to predict properties on the Chemicalize site


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