Products for Research Use Only
RegisterLogin

Orcinol gentiobioside

CAT: 1407-AB3443Size: 20 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1407-AB3443Size:20 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
164991-86-0
Purity
98% (HPLC)
Molecular Formula
C19H28O12
Molecular Weight
448.421

Chemical Information

Npc5024
CAS Number164991-86-0
PubChem CID10411370
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-5-methylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Molecular FormulaC19H28O12
Molecular Weight448.4
XLogP-2.4
Topological Polar Surface Area199
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity566
SMILES
CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C19H28O12/c1-7-2-8(21)4-9(3-7)29-19-17(27)15(25)13(23)11(31-19)6-28-18-16(26)14(24)12(22)10(5-20)30-18/h2-4,10-27H,5-6H2,1H3/t10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChIKey
XZPNBJLXZMBECP-SKYGPZSASA-N
Chemical Structure
2D Structure
2D structure of Npc5024
CAS: 164991-86-0
CID: 10411370
Formula: C19H28O12
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP3-2.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass448.15807632
Monoisotopic Mass448.15807632
Topological Polar Surface Area199 Ų
Heavy Atom Count31
Formal Charge0
Complexity566
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
AB1058Orcinol glucoside
AB1144Genipin 1-gentiobioside
AB1980Quercetin 3-gentiobioside
AB1810Matairesinol 4'-O-β-gentiobioside
AB1981Isorhamnetin-3-O-gentiobioside
AB1578Isorubrofusarin-6-O-β-gentiobioside
AB1285Kaempferol 3-O-gentiobioside
AB0952Arctigenin 4'-O-β-gentiobioside
AB2752Emodin-1-O-β-gentiobioside
AB0111Chrysin 7-O-β-gentiobioside

Alternative Products

CatalogName
HY-N4123-01Orcinol gentiobioside
C14173Orcinol
461606-01Orcinol Glucoside

Popular Products