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141019-70-7 | α-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-, 3,6-dibenzoate
CAS No: 141019-70-7 Catalog No: AG001FQU MDL No:
Product Description
Catalog Number:
AG001FQU
Chemical Name:
α-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-, 3,6-dibenzoate
CAS Number:
141019-70-7
Molecular Formula:
C29H29NO8
Molecular Weight:
519.5425
IUPAC Name:
[(2R,3R,4R,5R,6S)-5-acetamido-4-benzoyloxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl benzoate
InChI:
InChI=1S/C29H29NO8/c1-19(31)30-24-26(38-28(34)22-15-9-4-10-16-22)25(32)23(18-35-27(33)21-13-7-3-8-14-21)37-29(24)36-17-20-11-5-2-6-12-20/h2-16,23-26,29,32H,17-18H2,1H3,(H,30,31)/t23-,24-,25+,26-,29+/m1/s1
InChI Key:
MYVKGGKJMHXHHZ-KPTFLJRUSA-N
SMILES:
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]([C@@H]([C@@H]1OC(=O)c1ccccc1)O)COC(=O)c1ccccc1
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
519.189g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
519.55g/mol
Monoisotopic Mass:
519.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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