ChemSpider 2D Image | N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-(methylsulfanyl)-9-[(4xi)-alpha-L-erythro-pentofuranosyl]-9H-purin-6-amine | C16H23N5O5S

N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-(methylsulfanyl)-9-[(4ξ)-α-L-erythro-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC16H23N5O5S
  • Average mass397.449 Da
  • Monoisotopic mass397.141998 Da
  • ChemSpider ID107445279

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9H-Purin-6-amine, N-[(2Z)-4-hydroxy-3-methyl-2-buten-1-yl]-2-(methylthio)-9-[(4ξ)-α-L-erythro-pentofuranosyl]- [ACD/Index Name]
N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-(methylsulfanyl)-9-[(4ξ)-α-L-erythro-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-[(2Z)-4-Hydroxy-3-methyl-2-buten-1-yl]-2-(methylsulfanyl)-9-[(4ξ)-α-L-erythro-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
N-[(2Z)-4-Hydroxy-3-méthyl-2-butén-1-yl]-2-(méthylsulfanyl)-9-[(4ξ)-α-L-érythro-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
52049-48-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 798.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.7±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.68
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.69
Polar Surface Area: 171 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 242.6±7.0 cm3

Click to predict properties on the Chemicalize site


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