ChemSpider 2D Image | (2R)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside | C14H17NO9

(2R)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside

  • Molecular FormulaC14H17NO9
  • Average mass343.286 Da
  • Monoisotopic mass343.090332 Da
  • ChemSpider ID23327397

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2R)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-hydroxy-, (2R)- [ACD/Index Name]
β-D-Glucopyranoside de (2R)-7-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yle [French] [ACD/IUPAC Name]
(R)-7-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485821/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 720.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -3.05
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 158 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 104.1±5.0 dyne/cm
Molar Volume: 196.9±5.0 cm3

Click to predict properties on the Chemicalize site


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