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Search term: InChIKey=BSABGNSIPKXNDL-AEZJAUAXSA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C17H24N5O10P

2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(5-O-phosphono-β-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC17H24N5O10P
  • Average mass489.374 Da
  • Monoisotopic mass489.126068 Da
  • ChemSpider ID59053468
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(5-O-phosphono-β-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-7-(5-O-phosphono-β-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-5-({[(1S,4S,5R)-4,5-dihydroxy-2-cyclopentén-1-yl]amino}méthyl)-7-(5-O-phosphono-β-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino]methyl]-3,7-dihydro-7-(5-O-phosphono-β-D-ribofuranosyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.868
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -6.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 121.6±7.0 dyne/cm
Molar Volume: 225.3±7.0 cm3

Click to predict properties on the Chemicalize site






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