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4-Hydroxy propofol 4-O-β-D-Glucuronide

CAT: 0931-TSW-00617-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TSW-00617-01Size:100 mg
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CAS Number
115005-78-2
Bioactivity
4-Hydroxy propofol 4-O-β-D-Glucuronide is a biochemical reagent utilized in glycoscience research. This study explores the structure, synthesis, biology, and evolution of sugars, encompassing carbohydrate chemistry, glycan formation and degradation enzymology, protein-glycan recognition, and the role of glycans in biological systems. This field is closely linked to fundamental research, biomedicine, and biotechnology.
Smiles
OC1=C(C=C(C=C1C(C)C)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(O)=O)C(C)C
Molecular Formula
C18H26O8
Molecular Weight
370.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxypropofol-4-O-b-D-glucuronide
CAS Number115005-78-2
PubChem CID92131911
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-3,5-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(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C18H26O8/c1-7(2)10-5-9(6-11(8(3)4)12(10)19)25-18-15(22)13(20)14(21)16(26-18)17(23)24/h5-8,13-16,18-22H,1-4H3,(H,23,24)/t13-,14-,15+,16-,18+/m0/s1
InChIKey
UXCRGVWMLWGVRH-RNGZQALNSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxypropofol-4-O-b-D-glucuronide
CAS: 115005-78-2
CID: 92131911
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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0143024-Hydroxy Propofol 4-O-β-D-Glucuronide
MBS6054191-014-Hydroxy Propofol 4-O-beta-D-Glucuronide
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MBS6018776-014-Hydroxy Propofol
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