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Search term: YYLOKHWVXJZHRN-IKYDMHQPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-[(2-Phenylethyl)sulfanyl]-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine | C18H22N5O7PS

8-[(2-Phenylethyl)sulfanyl]-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC18H22N5O7PS
  • Average mass483.435 Da
  • Monoisotopic mass483.097748 Da
  • ChemSpider ID24654859

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

8-[(2-Phenylethyl)sulfanyl]-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
8-[(2-Phenylethyl)sulfanyl]-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
8-[(2-Phényléthyl)sulfanyl]-9-(5-O-phosphono-D-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 8-[(2-phenylethyl)thio]-9-(5-O-phosphono-D-ribofuranosyl)- [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: 856.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.6±37.1 °C
Index of Refraction: 1.792
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 92.6±7.0 dyne/cm
Molar Volume: 264.1±7.0 cm3

Click to predict properties on the Chemicalize site


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