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14086-06-7 | α-D-Mannopyranoside, methyl 4,6-O-(phenylmethylene)-, cyclic carbonothioate (9CI)
CAS No: 14086-06-7 Catalog No: AG001CWW MDL No:
Product Description
Catalog Number:
AG001CWW
Chemical Name:
α-D-Mannopyranoside, methyl 4,6-O-(phenylmethylene)-, cyclic carbonothioate (9CI)
CAS Number:
14086-06-7
Molecular Formula:
C15H16O6S
Molecular Weight:
324.3489
IUPAC Name:
7-methoxy-12-phenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane-4-thione
InChI:
InChI=1S/C15H16O6S/c1-16-14-12-11(20-15(22)21-12)10-9(18-14)7-17-13(19-10)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3
InChI Key:
WQXKACVWXQXVKD-UHFFFAOYSA-N
SMILES:
COC1OC2COC(OC2C2C1OC(=S)O2)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.347g/mol
Monoisotopic Mass:
324.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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