ChemSpider 2D Image | Iridin | C24H26O13

Iridin

  • Molecular FormulaC24H26O13
  • Average mass522.455 Da
  • Monoisotopic mass522.137329 Da
  • ChemSpider ID4445090
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

491-74-7 [RN]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy- [ACD/Index Name]
5-Hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6NTS007OHQ
7-(Glucosyloxy)-3',5-dihydroxy-4',5',6-trimethoxyisoflavone
Iridin [Wiki]
Irigenin 7-glucoside
Irigenin 7-β-D-glucopyranoside
Irigenin-7-O-β-D-glucopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C10465 [DBID]
DivK1c_006239 [DBID]
KBio1_001183 [DBID]
KBio2_001099 [DBID]
KBio2_003667 [DBID]
KBio2_006235 [DBID]
KBio3_001243 [DBID]
KBioGR_002179 [DBID]
KBioSS_001099 [DBID]
SDCCGMLS-0066463.P001 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A glycosyloxyisoflavone that is irigenin substituted by a <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranosyl residue at position 7 via a glycosidic linkage. ChEBI CHEBI:5963
      isoflavone glycoside Microsource [00200793]
    • Drug Status:

      undetermined activity Microsource [00200793]
    • Compound Source:

      Iris spp. Microsource [00200793]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 833.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 284.1±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.60
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 335.2±3.0 cm3

Click to predict properties on the Chemicalize site





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