Diosmin

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Catalog Number
ACM520274
Product Name
Diosmin
Structure
Structure
CAS
520-27-4
Category
Heterocyclic Organic Compound
Synonyms
Diosmetin-7-rutinoside
IUPAC Name
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Weight
608.54
Molecular Formula
C28H32O15
Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChI Key
GZSOSUNBTXMUFQ-YFAPSIMESA-N
Boiling Point
926.8±65.0 °C
Melting Point
277-278 °C
Flash Point
305.2 °C
Density
1.68±0.1 g/cm³
Appearance
Yellow powder
Storage
Sealed in dry, 2-8 °C
Assay
0.99
Complexity
995
Exact Mass
608.17412031
Hazard Statements
Xi
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Monoisotopic Mass
608.17412031
Packaging
1 kg
pKa
6.10±0.40(Predicted)
Refractive Index
1.711
Safety Description
26-36-36/37
Storage Conditions
2-8°C
Topological Polar Surface Area
234 Ų
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