ChemSpider 2D Image | Apiin | C26H28O14

Apiin

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID4444321
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



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

2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Apigenin-7-O-apioglucoside
Apiin [Wiki]
Apioside
5,7,4'-trihydroxyflavone 7-O-[β-D-apiosyl-(1->2)-β-D-glucoside]
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-β-D-glucopyranoside
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-β-D-glycero-tetrofuranosyl-(1->2)-β-D-glucopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04858 [DBID]
CHEBI:15932 [DBID]
DivK1c_007035 [DBID]
KBio1_001979 [DBID]
KBio2_000684 [DBID]
KBio2_003252 [DBID]
KBio2_005820 [DBID]
KBio3_002815 [DBID]
KBioGR_002458 [DBID]
KBioSS_000684 [DBID]
More...
  • Miscellaneous
    • Chemical Class:

      flavone glycoside Microsource [00350025]
    • Drug Status:

      undetermined activity Microsource [00350025]
    • Compound Source:

      parsley seed; flowers of Anthemis nobilis. 80% + other glycosides Microsource [00350025]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 942.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 316.7±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.51
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 322.9±5.0 cm3

Click to predict properties on the Chemicalize site


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