ChemSpider 2D Image | 2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl 6-deoxy-alpha-L-mannopyranoside | C21H24O10

2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID30835240

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1-Propanone, 1-[2-[(6-deoxy-α-L-mannopyranosyl)oxy]-4,6-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)- [ACD/Index Name]
2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-[3-(3,4-Dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 2-[3-(3,4-dihydroxyphényl)propanoyl]-3,5-dihydroxyphényle [French] [ACD/IUPAC Name]
glycyphyllin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 266.9±26.4 °C
Index of Refraction: 1.690
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.36
ACD/KOC (pH 5.5): 143.78
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 35.63
Polar Surface Area: 177 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

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