ChemSpider 2D Image | (5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[3,3',5-trihydroxy(1-~13~C)-2-biphenylyl]carbonyl}-beta-D-glucopyranoside | C2813CH30O13

(5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[3,3',5-trihydroxy(1-13C)-2-biphenylyl]carbonyl}-β-D-glucopyranoside

  • Molecular FormulaC2813CH30O13
  • Average mass587.533 Da
  • Monoisotopic mass587.171997 Da
  • ChemSpider ID8802553

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[3,3',5-trihydroxy(1-13C)-2-biphenylyl]carbonyl}-β-D-glucopyranoside [ACD/IUPAC Name]
(5R,6S)-1-Oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl-2-O-{[3,3',5-trihydroxy(1-13C)-2-biphenylyl]carbonyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-[[2-O-[(3,3',5-trihydroxy[1,1'-biphenyl]-2-yl-1-13C)carbonyl]-β-D-glucopyranosyl]oxy]-, (5R,6S)- [ACD/Index Name]
2-O-{[3,3',5-Trihydroxy(1-13C)-2-biphénylyl]carbonyl}-β-D-glucopyranoside de (5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tétrahydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 368.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement