ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-galactopyranoside | C26H28O13

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranoside

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID88297063

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-[[6-O-[(2R,3R,4S)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-galactopyranosyl]oxy]- [ACD/Index Name]
6-O-[(2R,3R,4S)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-galactopyranoside de 3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
108044-04-8 [RN]
Ambonin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 883.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 298.1±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.10
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.99
Polar Surface Area: 205 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement