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Search term: CHESHXFLNKEMME (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-methyltetrahydro-3-furanyl hydrogen (R)-phosphat e | C20H25N10O10P

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-methyltetrahydro-3-furanyl hydrogen (R)-phosphat e

  • Molecular FormulaC20H25N10O10P
  • Average mass596.447 Da
  • Monoisotopic mass596.149292 Da
  • ChemSpider ID395592

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-methyltetrahydro-3-furanyl hydrogen (R)-phosphat e [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-methyltetrahydro-3-furanylhydrogen(R)-phosphat ( non-preferred name) [German] [ACD/IUPAC Name]
Hydrogéno(R)-phosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-méthyltétrahydr o-3-furanyle [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1090.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.7±3.0 kJ/mol
Flash Point: 613.4±37.1 °C
Index of Refraction: 1.990
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 137.6±7.0 dyne/cm
Molar Volume: 255.3±7.0 cm3

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