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137215-12-4 | 2H-1-Benzopyran-2-one, 4-methyl-7-[(5-thio-β-D-xylopyranosyl)oxy]-
CAS No: 137215-12-4 Catalog No: AG0012YG MDL No:
Product Description
Catalog Number:
AG0012YG
Chemical Name:
2H-1-Benzopyran-2-one, 4-methyl-7-[(5-thio-β-D-xylopyranosyl)oxy]-
CAS Number:
137215-12-4
Molecular Formula:
C15H16O6S
Molecular Weight:
324.3489
IUPAC Name:
4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
InChI:
InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
InChI Key:
JRHNIQQUVJOPQC-AQNFWKISSA-N
SMILES:
O[C@@H]1CS[C@H]([C@@H]([C@H]1O)O)Oc1ccc2c(c1)oc(=O)cc2C
UNII:
FIK1414ZI8
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
324.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.347g/mol
Monoisotopic Mass:
324.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Characterization of total plasma glycosaminoglycan levels in healthy volunteers following oral administration of a novel antithrombotic odiparcil with aspirin or enoxaparin. | Journal of clinical pharmacology 20081001 |
| A comparison of the beta-D-xyloside, odiparcil, to warfarin in a rat model of venous thrombosis. | Journal of thrombosis and haemostasis : JTH 20060901 |
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