ChemSpider 2D Image | 2-(4-{[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}-1-piperazinyl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamide | C24H27N9O6

2-(4-{[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}-1-piperazinyl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamide

  • Molecular FormulaC24H27N9O6
  • Average mass537.528 Da
  • Monoisotopic mass537.208435 Da
  • ChemSpider ID23238724

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-(4-{[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}-1-piperazinyl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamid [German] [ACD/IUPAC Name]
2-(4-{[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}-1-piperazinyl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamide [ACD/IUPAC Name]
2-(4-{[(3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]carbonyl}-1-pipérazinyl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acétamide [French] [ACD/IUPAC Name]
2-(4-{[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}piperazin-1-yl)-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)acetamide (non-preferred name)
2-{4-[(R)-Hydroxy-3-(S)-5-(6-amino-purin-9-yl)-4-hydroxy-tetrahydro-furan-2-carbonyl]-piperazin-1-yl}-N-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)-acetamide
CHEMBL435073

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.866
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.92
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.78
Polar Surface Area: 201 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 92.6±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

Click to predict properties on the Chemicalize site


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