ChemSpider 2D Image | (2S)-2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl beta-D-glucopyranoside | C20H24O10

(2S)-2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl β-D-glucopyranoside

  • Molecular FormulaC20H24O10
  • Average mass424.399 Da
  • Monoisotopic mass424.136932 Da
  • ChemSpider ID21542563

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-(2-Hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
20320-81-4 [RN]
7H-Furo[3,2-g][1]benzopyran-7-one, 9-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S)-2-(2-hydroxy-2-propanyl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromén-9-yle [French] [ACD/IUPAC Name]
(2S)-2-(1-hydroxy-1-methyl-ethyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
(2S)-2-(1-hydroxy-1-methyl-ethyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
(2S)-2-(1-hydroxy-1-methylethyl)-9-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2,3-dihydrofuro[3,2-g]chromen-7-one
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl β-D-glucopyranoside
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl β-D-glucopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NBL6IC1992 [DBID]
C09309 [DBID]
UNII:NBL6IC1992 [DBID]
UNII-NBL6IC1992 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monosaccharide derivative that is beta-D-glucopyranose in which the hydroxy group at position 1 is substituted by a [(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl] oxy group. It is a natural product found in several plant species including Ruta graveolens and Citropsis articulata. ChEBI CHEBI:69039

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

Density: 1.6±0.1 g/cm3
Boiling Point: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 258.4±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.11
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 155 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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