ChemSpider 2D Image | (2S,3R,4R,5R)-5-{6-[(4-Aminobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide | C18H21N7O4

(2S,3R,4R,5R)-5-{6-[(4-Aminobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide

  • Molecular FormulaC18H21N7O4
  • Average mass399.404 Da
  • Monoisotopic mass399.165497 Da
  • ChemSpider ID26371112

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-5-{6-[(4-Aminobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3R,4R,5R)-5-{6-[(4-Aminobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3R,4R,5R)-5-{6-[(4-Aminobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-méthyltétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3R,4R,5R)-5-[6-[(4-Aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
152918-26-8 [RN]
AB-MECA

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.789
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.06
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.39
Polar Surface Area: 160 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 76.0±7.0 dyne/cm
Molar Volume: 236.7±7.0 cm3

Click to predict properties on the Chemicalize site


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