Products for Research Use Only
RegisterLogin

Diosmetin 3′,7-diglucuronide

CAT: 0024-sc-497467Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-497467Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
152503-51-0

Chemical Information

Diosmetin 3',7-Diglucuronide (>80%)
CAS Number152503-51-0
PubChem CID163342371
IUPAC Name(2S,3S,4S,5R,6R)-6-[2-[3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC28H28O18
Molecular Weight652.5
XLogP-0.5
Topological Polar Surface Area289
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1160
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI
InChI=1S/C28H28O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)/t17-,18-,19-,20-,21+,22+,23-,24-,27-,28-/m0/s1
InChIKey
JBZAJCHQSCNMOJ-FTDJBTMLSA-N
Chemical Structure
2D Structure
2D structure of Diosmetin 3',7-Diglucuronide (>80%)
CAS: 152503-51-0
CID: 163342371
Formula: C28H28O18
MW: 652.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.5
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass652.12756404
Monoisotopic Mass652.12756404
Topological Polar Surface Area289 Ų
Heavy Atom Count46
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-497228Diosmetin 5,7-Diglucuronide
sc-490404Hesperetin 3′,7-Diglucuronide
sc-205653ADiosmetin
sc-205653Diosmetin
sc-497226Diosmetin 3′,5-Diacetate
sc-218242Diosmetin-d3
sc-497222Diosmetin 7-O-β-D-Glucuronide Sodium Salt
sc-497224Diosmetin 3-O-β-D-Glucuronide
sc-219608Phenylephrine 2-O-3'-O-Diglucuronide
sc-497223Diosmetin 7-O-β-D-Glucuronide-d3 Sodium Salt

Alternative Products

CatalogName
MD34904-01Diosmetin-3',7-diglucuronide
TRC-D485042-0.5MGDiosmetin 3',7-Diglucuronide-d3
TRC-D485040-1MGDiosmetin 3’,7-Diglucuronide (>85%)
447298-01Diosmetin 3’,7-Diglucuronide-d3
163882Diosmetin 5,7-Diglucuronide
OD137876-01Diosmetin-7-neohesperidoside
TRC-D450615-10MGDiosmetin 7-O-Benzoyl
GC2826-2mgDiosmetin 3'',7-di-O-β-D-glucuronide
FD174823-01Diosmetin-d3-3,7-O-di-Glucuronide
GY4535-5mgDiosmetin 7-O-β-D-glucuronide

Popular Products