ChemSpider 2D Image | (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-alpha-L-mannopyranoside | C21H22O11

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID57620959

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
137592-12-2 [RN]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5-dihydroxy-, (2R,3R)- [ACD/Index Name]
6-Désoxy-α-L-mannopyranoside de (2R,3R)-2-(3,4-dihydroxyphényl)-3,5-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(2R,?3R)?-7-?[(6-?deoxy-??-?L-?mannopyranosyl)?oxy]?-?2-?(3,?4-?dihydroxyphenyl)?-?2,?3-?dihydro-?3,?5-?dihydroxy-4H-?1-?Benzopyran-?4-?one?
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 832.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 293.9±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 47.96
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.06
Polar Surface Area: 186 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 95.9±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

Click to predict properties on the Chemicalize site


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