ChemSpider 2D Image | 5-Hydroxy-2-[2-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-3-furanyl]phenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C29H34O14

5-Hydroxy-2-[2-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-3-furanyl]phenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC29H34O14
  • Average mass606.572 Da
  • Monoisotopic mass606.194885 Da
  • ChemSpider ID115015719

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[2-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-5-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
5-Hydroxy-2-[2-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-3-furanyl]phenyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-[2-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-3-furanyl]phenyl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-[2-(4-hydroxybenzyl)-5-oxo-2,5-dihydro-3-furanyl]phényle [French] [ACD/IUPAC Name]
100692-52-2 [RN]
2-[(4-hydroxyphenyl)methyl]-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2H-furan-5-one
Pueroside A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 954.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.6±3.0 kJ/mol
Flash Point: 313.1±27.8 °C
Index of Refraction: 1.701
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.21
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.08
Polar Surface Area: 225 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 96.0±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


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