ChemSpider 2D Image | (1S)-1,4-Anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-L-arabinitol | C11H13N3O5

(1S)-1,4-Anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-L-arabinitol

  • Molecular FormulaC11H13N3O5
  • Average mass267.238 Da
  • Monoisotopic mass267.085510 Da
  • ChemSpider ID26329826

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,4-Anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-L-arabinitol [German] [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-L-arabinitol [ACD/IUPAC Name]
(1S)-1,4-Anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-L-arabinitol [French] [ACD/IUPAC Name]
L-Arabinitol, 1,4-anhydro-1-C-(4,5-dihydro-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-, (1S)- [ACD/Index Name]
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H-pyrrolo[3,2-d]pyrimidin-4-one
7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[3,2-d]pyrimidin-4-one
9-deazainosine

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

Density: 2.0±0.1 g/cm3
Boiling Point: 721.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 390.0±32.9 °C
Index of Refraction: 1.844
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.35
Polar Surface Area: 127 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 92.8±7.0 dyne/cm
Molar Volume: 134.0±7.0 cm3

Click to predict properties on the Chemicalize site


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