ChemSpider 2D Image | 2-Amino-7-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | C12H17N5O3

2-Amino-7-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • Molecular FormulaC12H17N5O3
  • Average mass279.295 Da
  • Monoisotopic mass279.133148 Da
  • ChemSpider ID62426074

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Amino-7-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-7-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-7-{[(3S,4R)-3-hydroxy-4-(hydroxyméthyl)-1-pyrrolidinyl]méthyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1,2,3,5-tetrahydro-7-[[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]-2-imino- [ACD/Index Name]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-amino-3,5-dihydro-7-[[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]- [ACD/Index Name]
7-{[(3S,4R)-3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-2-imino-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
7-{[(3S,4R)-3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-2-imino-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
7-{[(3S,4R)-3-Hydroxy-4-(hydroxyméthyl)-1-pyrrolidinyl]méthyl}-2-imino-1,2,3,5-tétrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.834
Molar Refractivity: 67.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -5.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 87.7±7.0 dyne/cm
Molar Volume: 153.9±7.0 cm3

Click to predict properties on the Chemicalize site


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