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310888-07-4 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-, (2S)-
CAS No: 310888-07-4 Catalog No: AG00322Y MDL No:MFCD19441036
Product Description
Catalog Number:
AG00322Y
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-, (2S)-
CAS Number:
310888-07-4
Molecular Formula:
C18H18O8
Molecular Weight:
362.3307
MDL Number:
MFCD19441036
IUPAC Name:
(2S)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C18H18O8/c1-23-14-5-8(4-10(20)17(14)24-2)12-6-9(19)15-13(26-12)7-11(21)18(25-3)16(15)22/h4-5,7,12,20-22H,6H2,1-3H3/t12-/m0/s1
InChI Key:
HMTSHCGCQPCGLA-LBPRGKRZSA-N
SMILES:
COc1c(O)cc(cc1OC)[C@@H]1CC(=O)c2c(O1)cc(c(c2O)OC)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
362.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.334g/mol
Monoisotopic Mass:
362.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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