ChemSpider 2D Image | 2-Amino-7-(2-deoxy-alpha-D-erythro-pentofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H14N4O4

2-Amino-7-(2-deoxy-α-D-erythro-pentofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H14N4O4
  • Average mass266.253 Da
  • Monoisotopic mass266.101501 Da
  • ChemSpider ID28475125

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Amino-7-(2-deoxy-α-D-erythro-pentofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-7-(2-desoxy-α-D-erythro-pentofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-7-(2-désoxy-α-D-érythro-pentofuranosyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-7-(2-deoxy-α-D-erythro-pentofuranosyl)-1,7-dihydro- [ACD/Index Name]
2-Amino-7-((2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
2-AMINO-7-[(2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PYRROLO[2,3-D]PYRIMIDIN-4-ONE
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-7-(2-deoxy-b-D-erythro-pentofuranosyl)-1,7-dihydro-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 621.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.6±34.3 °C
Index of Refraction: 1.834
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.66
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.72
Polar Surface Area: 122 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 139.5±7.0 cm3

Click to predict properties on the Chemicalize site


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