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157695-36-8 | 2H,5H-Pyrano[4,3-b]pyran-2-one, 7,8-dihydro-5-hydroxy-4-methoxy-7,8-dimethyl-, (5R,7S,8S)-
CAS No: 157695-36-8 Catalog No: AG001PM8 MDL No:
Product Description
Catalog Number:
AG001PM8
Chemical Name:
2H,5H-Pyrano[4,3-b]pyran-2-one, 7,8-dihydro-5-hydroxy-4-methoxy-7,8-dimethyl-, (5R,7S,8S)-
CAS Number:
157695-36-8
Molecular Formula:
C11H14O5
Molecular Weight:
226.2259
IUPAC Name:
5-hydroxy-4-methoxy-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
InChI:
InChI=1S/C11H14O5/c1-5-6(2)15-11(13)9-7(14-3)4-8(12)16-10(5)9/h4-6,11,13H,1-3H3
InChI Key:
ZYSOIVWPFGMXCV-UHFFFAOYSA-N
SMILES:
COc1cc(=O)oc2c1[C@H](O)O[C@H]([C@@H]2C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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