ChemSpider 2D Image | 7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(R)-hydroxy(~2~H_1_)methyl]-2-pyrrolidinyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | C11H13DN4O4

7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(R)-hydroxy(2H1)methyl]-2-pyrrolidinyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • Molecular FormulaC11H13DN4O4
  • Average mass267.259 Da
  • Monoisotopic mass267.107788 Da
  • ChemSpider ID9218902

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4H-Pyrrolo[3,2-d]pyrimidin-4-one, 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(R)-hydroxymethyl-d]-2-pyrrolidinyl]-1,5-dihydro- [ACD/Index Name]
7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(R)-hydroxy(2H1)methyl]-2-pyrrolidinyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(R)-hydroxy(2H1)methyl]-2-pyrrolidinyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
7-{(2S,3S,4R,5R)-3,4-Dihydroxy-5-[(R)-hydroxy(2H1)méthyl]-2-pyrrolidinyl}-1,5-dihydro-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: 2.0±0.1 g/cm3
Boiling Point: 613.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.894
Molar Refractivity: 61.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 98.5±7.0 dyne/cm
Molar Volume: 132.2±7.0 cm3

Click to predict properties on the Chemicalize site


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