ChemSpider 2D Image | RHODIOLGIN | C21H20O12

RHODIOLGIN

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID52083508
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranoside de 2-(3,4-dihydroxyphényl)-3,5,8-trihydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
94696-39-6 [RN]
RHODIOLGIN
MFCD27976633

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

K1E4B8S1S7 [DBID]
UNII:K1E4B8S1S7 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 300.2±27.8 °C
Index of Refraction: 1.779
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.91
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.39
Polar Surface Area: 207 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 115.4±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

Click to predict properties on the Chemicalize site






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