Products for Research Use Only
RegisterLogin

Hemiphloin

CAT: 0926-WCA96394-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-WCA96394-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
71963-94-5
Smiles
C1C (OC2=C (C1=O) C (=C (C (=C2) O) C3C (C (C (C (O3) CO) O) O) O) O) C4=CC=C (C=C4) O
Molecular Formula
C21H22O10
Molecular Weight
434.4 g/mol
Controlled
No

Chemical Information

Hemiphloin

Hemiphloin is a C-glycosyl compound and a member of flavonoids.

CAS Number71963-94-5
PubChem CID160711
IUPAC Name(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O10
Molecular Weight434.4
XLogP-0.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
InChIKey
QKPKGDDHOGIEOO-JVVVWQBKSA-N
Chemical Structure
2D Structure
2D structure of Hemiphloin
CAS: 71963-94-5
CID: 160711
Formula: C21H22O10
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP3-0.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass434.12129689
Monoisotopic Mass434.12129689
Topological Polar Surface Area177 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19155017-01Hemiphloin
HY-N8202(Rac) -Hemiphloin

Popular Products