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Search term: SAUOHBZKGNDFHP-MSOSYJBYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(2-Chlorobenzyl)sulfanyl]-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol | C17H18ClN4O8PS

2-[(2-Chlorobenzyl)sulfanyl]-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol

  • Molecular FormulaC17H18ClN4O8PS
  • Average mass504.839 Da
  • Monoisotopic mass504.027161 Da
  • ChemSpider ID24659113

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-[(2-Chlorbenzyl)sulfanyl]-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [German] [ACD/IUPAC Name]
2-[(2-Chlorobenzyl)sulfanyl]-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [ACD/IUPAC Name]
2-[(2-Chlorobenzyl)sulfanyl]-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-[[(2-chlorophenyl)methyl]thio]-9-(5-O-phosphono-L-ribofuranosyl)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 899.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 497.8±37.1 °C
Index of Refraction: 1.808
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 96.5±7.0 dyne/cm
Molar Volume: 257.8±7.0 cm3

Click to predict properties on the Chemicalize site


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