ChemSpider 2D Image | 9-[(2xi)-beta-D-threo-Pentofuranosyl]-9H-purine-6,8-diamine | C10H14N6O4

9-[(2ξ)-β-D-threo-Pentofuranosyl]-9H-purine-6,8-diamine

  • Molecular FormulaC10H14N6O4
  • Average mass282.256 Da
  • Monoisotopic mass282.107666 Da
  • ChemSpider ID23935247

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-[(2ξ)-β-D-threo-Pentofuranosyl]-9H-purin-6,8-diamin [German] [ACD/IUPAC Name]
9-[(2ξ)-β-D-threo-Pentofuranosyl]-9H-purine-6,8-diamine [ACD/IUPAC Name]
9-[(2ξ)-β-D-thréo-Pentofuranosyl]-9H-purine-6,8-diamine [French] [ACD/IUPAC Name]
9H-Purine-6,8-diamine, 9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
(2R,4R,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
3868-33-5 [RN]
8-Amino Adenosine
8-Aminoadenosine [ACD/IUPAC Name]
8-Amionadenosine
  • Miscellaneous

    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. 201182
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. 201182

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

Density: 2.3±0.1 g/cm3
Boiling Point: 747.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.6±35.7 °C
Index of Refraction: 1.986
Molar Refractivity: 61.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.93
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 166 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 127.6±7.0 dyne/cm
Molar Volume: 124.9±7.0 cm3

Click to predict properties on the Chemicalize site


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