ChemSpider 2D Image | (1S,2S,3S,4R)-4-(2,6-Diamino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl hydrogen sulfate | C10H14N6O6S

(1S,2S,3S,4R)-4-(2,6-Diamino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl hydrogen sulfate

  • Molecular FormulaC10H14N6O6S
  • Average mass346.320 Da
  • Monoisotopic mass346.069550 Da
  • ChemSpider ID25063814

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3S,4R)-4-(2,6-Diamino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl hydrogen sulfate [ACD/IUPAC Name]
(1S,2S,3S,4R)-4-(2,6-Diamino-9H-purin-9-yl)-2,3-dihydroxycyclopentylhydrogensulfat [German] [ACD/IUPAC Name]
1,2,3-Cyclopentanetriol, 4-(2,6-diamino-9H-purin-9-yl)-, 1-(hydrogen sulfate), (1S,2S,3S,4R)- [ACD/Index Name]
Hydrogénosulfate de (1S,2S,3S,4R)-4-(2,6-diamino-9H-purin-9-yl)-2,3-dihydroxycyclopentyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1206317/

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.980
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -5.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 141.8±7.0 dyne/cm
Molar Volume: 145.2±7.0 cm3

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