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4-Hydroxy propofol 1-O-β-D-glucuronide

CAT: 0931-TSW-00744-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TSW-00744-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114991-25-2
Bioactivity
4-Hydroxy propofol 1-O-β-D-glucuronide is a biochemical reagent used in glycobiology research. Glycobiology explores the structure, synthesis, biology, and evolution of sugars. This field involves the chemistry of carbohydrates, enzymes related to glycans' formation and degradation, protein-glycan recognition, and the roles of glycans in biological systems. It is closely connected with fundamental research, biomedicine, and biotechnology.
Smiles
CC(C)C(C=C(C=C1C(C)C)O)=C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(O)=O
Molecular Formula
C18H26O8
Molecular Weight
370.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxypropofol 1-O-b-D-glucuronide
CAS Number114991-25-2
PubChem CID29981923
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2,6-di(propan-2-yl)phenoxy]oxane-2-carboxylic acid
Molecular FormulaC18H26O8
Molecular Weight370.4
XLogP1.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity464
SMILES
CC(C)C1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O
InChI
InChI=1S/C18H26O8/c1-7(2)10-5-9(19)6-11(8(3)4)15(10)25-18-14(22)12(20)13(21)16(26-18)17(23)24/h5-8,12-14,16,18-22H,1-4H3,(H,23,24)/t12-,13-,14+,16-,18+/m0/s1
InChIKey
OCSNDZGMSQTRGL-RUKPJNHUSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxypropofol 1-O-b-D-glucuronide
CAS: 114991-25-2
CID: 29981923
Formula: C18H26O8
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass370.16276778
Monoisotopic Mass370.16276778
Topological Polar Surface Area137 Ų
Heavy Atom Count26
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-W7915354-Hydroxy propofol 1-O-β-D-glucuronide
0143024-Hydroxy Propofol 4-O-β-D-Glucuronide
MBS6090847-014-Hydroxy Propofol 1-O-beta-D-Glucuronide
MBS6054191-014-Hydroxy Propofol 4-O-beta-D-Glucuronide
TRC-H950778-1MG4-Hydroxy Propofol 1-O-β-D-Glucuronide Sodium Salt
0143094-Hydroxy Propofol 1-O-β-D-Glucuronic
MBS6059680-014-Hydroxy Propofol 1-O-beta-D-Glucuronic
sc-4763834-Hydroxy Propofol 1-O-β-D-Glucuronic Acid Methyl Ester
TRC-H950840-10MG4-Hydroxy Propofol 1-O-Beta-D-Glucuronic Acid Methyl Ester
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