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125072-69-7 | 2(3H)-Furanone, dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4S)-
CAS No: 125072-69-7 Catalog No: AG000N2X MDL No:MFCD26406155
Product Description
Catalog Number:
AG000N2X
Chemical Name:
2(3H)-Furanone, dihydro-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4S)-
CAS Number:
125072-69-7
Molecular Formula:
C20H22O7
Molecular Weight:
374.3845
MDL Number:
MFCD26406155
IUPAC Name:
(3R,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
InChI:
InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20+/m0/s1
InChI Key:
ZITBJWXLODLDRH-VBKZILBWSA-N
SMILES:
COc1cc(ccc1O)C[C@H]1COC(=O)[C@@]1(O)Cc1ccc(c(c1)OC)O
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
374.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.389g/mol
Monoisotopic Mass:
374.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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