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14581-89-6 | β-D-Glucopyranoside, 2-naphthalenyl, 2,3,4,6-tetraacetate
CAS No: 14581-89-6 Catalog No: AG001DG6 MDL No:MFCD00220344
Product Description
Catalog Number:
AG001DG6
Chemical Name:
β-D-Glucopyranoside, 2-naphthalenyl, 2,3,4,6-tetraacetate
CAS Number:
14581-89-6
Molecular Formula:
C24H26O10
Molecular Weight:
474.4572
MDL Number:
MFCD00220344
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-naphthalen-2-yloxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C24H26O10/c1-13(25)29-12-20-21(30-14(2)26)22(31-15(3)27)23(32-16(4)28)24(34-20)33-19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-24H,12H2,1-4H3/t20-,21-,22+,23-,24-/m1/s1
InChI Key:
VBWBRAIDMPRMHW-GNADVCDUSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
474.153g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.462g/mol
Monoisotopic Mass:
474.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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