ChemSpider 2D Image | [(1R,2R,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]-L-methionine | C15H22N6O4S

[(1R,2R,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]-L-methionine

  • Molecular FormulaC15H22N6O4S
  • Average mass382.438 Da
  • Monoisotopic mass382.142334 Da
  • ChemSpider ID34256288

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(1R,2R,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]-L-methionin [German] [ACD/IUPAC Name]
[(1R,2R,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]-L-methionine [ACD/IUPAC Name]
[(1R,2R,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]-L-méthionine [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[[(1R,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl]thio]-, (2S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 727.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 394.0±35.7 °C
Index of Refraction: 1.826
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 90.2±7.0 dyne/cm
Molar Volume: 210.6±7.0 cm3

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