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125288-25-7 | β-D-Glucopyranoside, 2,4,6-trimethoxyphenyl
CAS No: 125288-25-7 Catalog No: AG000NFD MDL No:MFCD20260411
Product Description
Catalog Number:
AG000NFD
Chemical Name:
β-D-Glucopyranoside, 2,4,6-trimethoxyphenyl
CAS Number:
125288-25-7
Molecular Formula:
C15H22O9
Molecular Weight:
346.3298
MDL Number:
MFCD20260411
IUPAC Name:
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2,4,6-trimethoxyphenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C15H22O9/c1-20-7-4-8(21-2)14(9(5-7)22-3)24-15-13(19)12(18)11(17)10(6-16)23-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11-,12+,13-,15+/m1/s1
InChI Key:
YBNSHGZGFVJIGM-VVSAWPALSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
346.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.332g/mol
Monoisotopic Mass:
346.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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