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Search term: c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol | C11H16N5O8P

2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol

  • Molecular FormulaC11H16N5O8P
  • Average mass377.247 Da
  • Monoisotopic mass377.073639 Da
  • ChemSpider ID59053634

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-2-deoxy-2-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-6-O-phosphono-D-altritol [ACD/IUPAC Name]
1,5-Anhydro-2-desoxy-2-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-6-O-phosphono-D-altritol [German] [ACD/IUPAC Name]
1,5-Anhydro-2-désoxy-2-(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)-6-O-phosphono-D-altritol [French] [ACD/IUPAC Name]
2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol [ACD/IUPAC Name]
2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-desoxy-6-O-phosphono-D-altritol [German] [ACD/IUPAC Name]
2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-désoxy-6-O-phosphono-D-altritol [French] [ACD/IUPAC Name]
D-Altritol, 1,5-anhydro-2-deoxy-2-(1,2,3,6-tetrahydro-2-imino-6-oxo-9H-purin-9-yl)-, 6-(dihydrogen phosphate) [ACD/Index Name]
D-Altritol, 2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1,5-anhydro-2-deoxy-, 6-(dihydrogen phosphate) [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.892
Molar Refractivity: 75.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 139.3±7.0 dyne/cm
Molar Volume: 163.0±7.0 cm3

Click to predict properties on the Chemicalize site


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