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290819-68-0 | α-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2,4-dideoxy-4-fluoro-, 3,6-dibenzoate
CAS No: 290819-68-0 Catalog No: AG002X9Y MDL No:
Product Description
Catalog Number:
AG002X9Y
Chemical Name:
α-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2,4-dideoxy-4-fluoro-, 3,6-dibenzoate
CAS Number:
290819-68-0
Molecular Formula:
C29H28FNO7
Molecular Weight:
521.5335
IUPAC Name:
[(3S,4R,5S,6S)-5-acetamido-4-benzoyloxy-3-fluoro-6-phenylmethoxyoxan-2-yl]methyl benzoate
InChI:
InChI=1S/C29H28FNO7/c1-19(32)31-25-26(38-28(34)22-15-9-4-10-16-22)24(30)23(18-35-27(33)21-13-7-3-8-14-21)37-29(25)36-17-20-11-5-2-6-12-20/h2-16,23-26,29H,17-18H2,1H3,(H,31,32)/t23?,24-,25+,26+,29+/m1/s1
InChI Key:
KGDKOKWJAUETMI-DJGULCAZSA-N
SMILES:
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)F)COC(=O)c1ccccc1
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
521.185g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.541g/mol
Monoisotopic Mass:
521.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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