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83354-85-2 | PHENYL-[4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXYPHENYL]METHANONE
CAS No: 83354-85-2 Catalog No: AG004S5K MDL No:
Product Description
Catalog Number:
AG004S5K
Chemical Name:
PHENYL-[4-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXYPHENYL]METHANONE
CAS Number:
83354-85-2
Molecular Formula:
C18H18O6
Molecular Weight:
330.3319
IUPAC Name:
phenyl-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
InChI:
InChI=1S/C18H18O6/c19-14-10-23-18(17(22)16(14)21)24-13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14,16-19,21-22H,10H2/t14-,16+,17-,18+/m1/s1
InChI Key:
ZYNZCAFXRWYJMJ-SPUZQDLCSA-N
SMILES:
O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)Oc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
330.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.336g/mol
Monoisotopic Mass:
330.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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