ChemSpider 2D Image | 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-O-(6-deoxy-beta-D-glucopyranosyl)-alpha-L-mannopyranoside | C27H30O16

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID58805191
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-3-O-(6-desoxy-β-D-glucopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-β-D-glucopyranosyl)-α-L-mannopyranoside de 3,5,8-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[3-O-(6-deoxy-β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy]-3,5,8-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
7-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
86831-54-1 [RN]
MFCD00238673
Rhodiosin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 994.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 329.1±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.91
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 266 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.2±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement