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Search term: CADMNUHCSSUEKR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol | C10H14N4O11P2

9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol

  • Molecular FormulaC10H14N4O11P2
  • Average mass428.186 Da
  • Monoisotopic mass428.013428 Da
  • ChemSpider ID65999710

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol [ACD/IUPAC Name]
9-{3-O-[Hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[3-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
inosine 3'-diphosphate

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

Density: 2.5±0.1 g/cm3
Boiling Point: 888.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±37.1 °C
Index of Refraction: 1.884
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -9.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 167.2±7.0 dyne/cm
Molar Volume: 171.6±7.0 cm3

Click to predict properties on the Chemicalize site


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