ChemSpider 2D Image | (2S)-2-Amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-3-(4-methoxyphenyl)propanamide (non-preferred name) | C22H29N7O5

(2S)-2-Amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-3-(4-methoxyphenyl)propanamide (non-preferred name)

  • Molecular FormulaC22H29N7O5
  • Average mass471.510 Da
  • Monoisotopic mass471.223022 Da
  • ChemSpider ID60599449

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S)-2-Amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-3-(4-methoxyphenyl)propanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S,4S,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-3-(4-methoxyphenyl)propanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-N-[(2S,4S,5R)-5-[6-(diméthylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]-3-(4-méthoxyphényl)propanamide (non-preferred name) [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(3ξ)-3-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3-deoxy-β-D-threo-pentofuranosyl]-N,N-dimethyl- [ACD/Index Name]
58-58-2 [RN]

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: 1.701
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.67
Polar Surface Area: 161 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement