ChemSpider 2D Image | apadenoson | C23H30N6O6

apadenoson

  • Molecular FormulaC23H30N6O6
  • Average mass486.521 Da
  • Monoisotopic mass486.222687 Da
  • ChemSpider ID28490919

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

250386-15-3 [RN]
apadenoson [INN] [USAN]
apadénoson [French] [INN]
apadenosonum [Latin] [INN]
Methyl trans-4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}-2-propyn-1-yl)cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-trans-4-(3-{6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydro-2-furanyl]-9H-purin-2-yl}-2-propin-1-yl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-(3-{6-Amino-9-[(2R,3R,4S,5S)-5-(éthylcarbamoyl)-3,4-dihydroxytétrahydro-2-furanyl]-9H-purin-2-yl}-2-propyn-1-yl)cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
ападенозон [Russian] [INN]
أبادينوسون [Arabic] [INN]
阿帕诺生 [Chinese] [INN]
More...

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

BMS068645 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 92.36
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 92.40
Polar Surface Area: 175 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 315.1±7.0 cm3

Click to predict properties on the Chemicalize site


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