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10230-17-8 | D-Glucose, 3-O-(phenylmethyl)-
CAS No: 10230-17-8 Catalog No: AG00075O MDL No:MFCD00051212
Product Description
Catalog Number:
AG00075O
Chemical Name:
D-Glucose, 3-O-(phenylmethyl)-
CAS Number:
10230-17-8
Molecular Formula:
C13H18O6
Molecular Weight:
270.2784
MDL Number:
MFCD00051212
IUPAC Name:
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
InChI:
InChI=1S/C13H18O6/c14-6-9-10(15)12(11(16)13(17)19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11-,12+,13-/m1/s1
InChI Key:
FYEFQDXXKFUMOJ-NJMOYASZSA-N
SMILES:
O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)OCc1ccccc1)O
EC Number:
307-256-5
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
270.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.281g/mol
Monoisotopic Mass:
270.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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