ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[7-(beta-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-mannitol | C25H28O16

(1S)-1,5-Anhydro-1-[7-(β-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-mannitol

  • Molecular FormulaC25H28O16
  • Average mass584.480 Da
  • Monoisotopic mass584.137756 Da
  • ChemSpider ID114642799

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[7-(β-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-mannitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-(β-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-D-mannitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[7-(β-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthén-2-yl]-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1,5-anhydro-1-C-[7-(β-D-galactopyranosyloxy)-1,3,6-trihydroxy-9-oxo-9H-xanthen-2-yl]-, (1S)- [ACD/Index Name]
64809-67-2 [RN]
Neomangiferin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1026.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.1±3.0 kJ/mol
Flash Point: 343.9±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 119.5±3.0 dyne/cm
Molar Volume: 317.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement