ChemSpider 2D Image | CP-608039 | C23H25ClN8O5

CP-608039

  • Molecular FormulaC23H25ClN8O5
  • Average mass528.948 Da
  • Monoisotopic mass528.163635 Da
  • ChemSpider ID8004096

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-3-Amino-5-[6-({5-chlor-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-N-methyltetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-Amino-5-[6-({5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-N-methyltetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-Amino-5-[6-({5-chloro-2-[(3-méthyl-1,2-oxazol-5-yl)méthoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-N-méthyltétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3-amino-5-[6-({5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-N-methyltetrahydrofuran-2-carboxamide (non-preferred name)
331727-55-0 [RN]
A1LB8I4247
CP-608039
(2S,3S,4R,5R)-3-amino-5-[6-[[5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide
3-Amino-5-{6-[5-chloro-2-(3-methyl-isoxazol-5-ylmethoxy)-benzylamino]-purin-9-yl}-4-hydroxy-tetrahydro-furan-2-carboxylic acid methylamide
CHEMBL116878
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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: 1.757
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.15
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 74.42
Polar Surface Area: 175 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 317.1±7.0 cm3

Click to predict properties on the Chemicalize site


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