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18031-57-7 | α-D-Glucopyranoside, methyl 4,6-O-(phenylmethylene)-, 3-acetate
CAS No: 18031-57-7 Catalog No: AG0021X0 MDL No:
Product Description
Catalog Number:
AG0021X0
Chemical Name:
α-D-Glucopyranoside, methyl 4,6-O-(phenylmethylene)-, 3-acetate
CAS Number:
18031-57-7
Molecular Formula:
C16H20O7
Molecular Weight:
324.3258
IUPAC Name:
(7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) acetate
InChI:
InChI=1S/C16H20O7/c1-9(17)21-14-12(18)16(19-2)22-11-8-20-15(23-13(11)14)10-6-4-3-5-7-10/h3-7,11-16,18H,8H2,1-2H3
InChI Key:
GLXUXOJGQXIWLX-UHFFFAOYSA-N
SMILES:
COC1OC2COC(OC2C(C1O)OC(=O)C)c1ccccc1
NSC Number:
119336
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.329g/mol
Monoisotopic Mass:
324.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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