ChemSpider 2D Image | 9-(beta-D-Arabinofuranosyl)-2-[(2E)-2-(cyclohexylmethylene)hydrazino]-9H-purin-6-amine | C17H25N7O4

9-(β-D-Arabinofuranosyl)-2-[(2E)-2-(cyclohexylmethylene)hydrazino]-9H-purin-6-amine

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID127383320

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(β-D-Arabinofuranosyl)-2-[(2E)-2-(cyclohexylmethylen)hydrazino]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(β-D-Arabinofuranosyl)-2-[(2E)-2-(cyclohexylmethylene)hydrazino]-9H-purin-6-amine [ACD/IUPAC Name]
9-(β-D-Arabinofuranosyl)-2-[(2E)-2-(cyclohexylméthylène)hydrazino]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-β-D-arabinofuranosyl-2-[(2E)-2-(cyclohexylmethylene)hydrazinyl]- [ACD/Index Name]
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-(cyclohexylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
144348-08-3 [RN]
Binodenoson [USAN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 765.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.8±35.7 °C
Index of Refraction: 1.812
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.06
Polar Surface Area: 164 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 82.6±7.0 dyne/cm
Molar Volume: 221.6±7.0 cm3

Click to predict properties on the Chemicalize site


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