ChemSpider 2D Image | 9-(6-O-Acetyl-5-deoxy-2,3-O-isopropylidene-6-C-phosphono-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine | C16H22N5O8P

9-(6-O-Acetyl-5-deoxy-2,3-O-isopropylidene-6-C-phosphono-β-D-ribo-hexofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC16H22N5O8P
  • Average mass443.348 Da
  • Monoisotopic mass443.120605 Da
  • ChemSpider ID34253052

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

9-(6-O-Acetyl-5-deoxy-2,3-O-isopropylidene-6-C-phosphono-β-D-ribo-hexofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(6-O-Acetyl-5-desoxy-2,3-O-isopropyliden-6-C-phosphono-β-D-ribo-hexofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(6-O-Acétyl-5-désoxy-2,3-O-isopropylidène-6-C-phosphono-β-D-ribo-hexofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[6-O-acetyl-5-deoxy-2,3-O-(1-methylethylidene)-6-C-phosphono-β-D-ribo-hexofuranosyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 727.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±35.7 °C
Index of Refraction: 1.758
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 235.9±7.0 cm3

Click to predict properties on the Chemicalize site


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