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6-O-Feruloylglucose

CAT: 0931-TN3186Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3186Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137887-25-3
Target
Others
Related Pathways
Others
Bioactivity
6-O- (E) -Feruloyl-glucose has scavenging hydroxyl radical activity.
Smiles
COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Molecular Formula
C16H20O9
Molecular Weight
356.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-O-Feruloylglucose
CAS Number137887-25-3
PubChem CID71307318
IUPAC Name[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC16H20O9
Molecular Weight356.32
XLogP-1.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity453
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
InChI
InChI=1S/C16H20O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-7,11-12,15-16,18-20,22-23H,8H2,1H3/b5-3+/t11-,12+,15+,16+/m0/s1
InChIKey
SQBITMSCIPALTP-LFJMMHPDSA-N
Chemical Structure
2D Structure
2D structure of 6-O-Feruloylglucose
CAS: 137887-25-3
CID: 71307318
Formula: C16H20O9
MW: 356.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.32
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass356.11073221
Monoisotopic Mass356.11073221
Topological Polar Surface Area154 Ų
Heavy Atom Count25
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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