Jump to main content Jump to site nav

Visit the new version of ChemSpider

Apiin

Molecular FormulaC₂₆H₂₈O₁₄
Average mass564.492 Da
Monoisotopic mass564.147888 Da
ChemSpider ID4444321

- 8 of 8 defined stereocentres

More details:

Featured data source

Names and Synonyms
Database ID(s)

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]

6QU3EZE37U

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

More...

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

5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-β-D-glycero-tetrofuranosyl-(1->2)-β-D-glucopyranoside

7-<i>O</i>-(&β;-D-apiofuranosyl-(1-2)-&β;-D-glucosyl)-5,7,4'-trihydroxyflavone

7-<i>O</i>-(&β;-D-apiofuranosyl-(1-2)-&β;-D-glucosyl)-apigenin

7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

7-((2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

7-((2-O-β-D-Apiofuranosyl-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyranone

7-[(2-O-D-apio-&;β;-D-furanosyl-&β;-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one

7-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one

7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromone

7-[[(2S,3R,4S,5S,6R)-3-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromenone

7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

7-O-(β-D-apiofuranosyl-1,2-β-D-glucosyl)-5,7,4'-trihydroxyflavone

apigenin 7-O-[β-D-apiosyl-(1->2)-β-D-glucoside]

Apigenin-7-apioglucoside

BSPBio_003313

EINECS 247-780-0

MFCD00016941 [MDL number]

MFCD30749827

missing

SPECTRUM350025

Spectrum5_000553

UNII:6QU3EZE37U

UNII-6QU3EZE37U

Less...

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...

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

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

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Apiin

More details:

Chemical Class:

Compound Source:

Bio Activity:

Search ChemSpider:

Search Google: