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Oxaprozin acyl-β-D-glucuronide

CAT: 0862-GC4262-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GC4262-10mgSize:10 mg
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CAS Number
90283-09-3
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Chemical Information

Oxaprozin-1-glucuronide

RN given refers to (beta-D)-isomer; structure given in first source

CAS Number90283-09-3
PubChem CID3033885
IUPAC Name(2S,3S,4S,5R,6S)-6-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC24H23NO9
Molecular Weight469.4
XLogP1.9
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity694
SMILES
C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4
InChI
InChI=1S/C24H23NO9/c26-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)12-11-15-25-17(13-7-3-1-4-8-13)21(32-15)14-9-5-2-6-10-14/h1-10,18-20,22,24,27-29H,11-12H2,(H,30,31)/t18-,19-,20+,22-,24+/m0/s1
InChIKey
ZONKPOICDFFRNF-MJRVOHGCSA-N
Chemical Structure
2D Structure
2D structure of Oxaprozin-1-glucuronide
CAS: 90283-09-3
CID: 3033885
Formula: C24H23NO9
MW: 469.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.4
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass469.13728131
Monoisotopic Mass469.13728131
Topological Polar Surface Area160 Ų
Heavy Atom Count34
Formal Charge0
Complexity694
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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