ChemSpider 2D Image | 2-Amino-5-({[(4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C12H15N5O3

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

  • Molecular FormulaC12H15N5O3
  • Average mass277.279 Da
  • Monoisotopic mass277.117493 Da
  • ChemSpider ID23144076
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

2-Amino-5-({[(4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-5-({[(4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-5-({[(4S,5R)-4,5-dihydroxy-2-cyclopentén-1-yl]amino}méthyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-Cyclopentene-1,2-diol, 5-[[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]amino]-, (1R,2S)- [ACD/Index Name]
(1R,2S)-5-[({2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)amino]cyclopent-3-ene-1,2-diol
2-Amino-5-({[(4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
2-Amino-5-[(4,5-dihydroxy-cyclopent-2-enylamino)-methyl]-3,5-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
86496-18-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.798
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 125.0±5.0 dyne/cm
Molar Volume: 167.1±5.0 cm3

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