ChemSpider 2D Image | 6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-alpha-L-idopyranoside | C29H32O16

6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-idopyranoside

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID58837446

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-α-L-idopyranosyl]oxy]- [ACD/Index Name]
6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-idopyranoside [ACD/IUPAC Name]
6-Methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-idopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-α-L-idopyranoside de 6-méthoxy-3-(6-méthoxy-1,3-benzodioxol-5-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
dalpatein 7-O-&β
dalpatein 7-O-&β;-D-apiofuranosyl-(1->6)-&β;-D-glucopyranoside
dalpatein glycoside
-D-glucopyranoside
missing
  • Miscellaneous

    • Compound Source:

      dalpatein and dalnigrein biosynthesis PlantCyc CPD-9693
      Linum usitatissimum PlantCyc CPD-9693

    • Bio Activity:

      dalpatein 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside + H2O -> dalpatein + beta-D-apiofuranosyl-(1->6)-D-glucose PlantCyc CPD-9693
      unknown isoflavone -> dalpatein 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside PlantCyc CPD-9693

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

Density: 1.7±0.1 g/cm3
Boiling Point: 913.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 299.0±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.97
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.97
Polar Surface Area: 222 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 94.3±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


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