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

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

  • Molecular FormulaC12H17N5O3
  • Average mass279.295 Da
  • Monoisotopic mass279.133148 Da
  • ChemSpider ID23222141

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxyméthyl)-1-pyrrolidinyl]méthyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,2-d]pyrimidin-4-ol, 2-amino-7-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]- [ACD/Index Name]
2-Amino-7-(3-hydroxy-4-hydroxymethyl-pyrrolidin-1-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-ol
CHEMBL435085
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL435085/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 646.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.7±34.3 °C
Index of Refraction: 1.793
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 118.3±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

Click to predict properties on the Chemicalize site


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