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83462-67-3 | Methyl 2,3,4,6-Tetra-O-benzyl-D-mannopyranoside
CAS No: 83462-67-3 Catalog No: AG004VBL MDL No:
Product Description
Catalog Number:
AG004VBL
Chemical Name:
Methyl 2,3,4,6-Tetra-O-benzyl-D-mannopyranoside
CAS Number:
83462-67-3
Molecular Formula:
C35H38O6
Molecular Weight:
554.6726
IUPAC Name:
(3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
InChI:
InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34+,35?/m1/s1
InChI Key:
IXEBJCKOMVGYKP-DLCPRKGNSA-N
SMILES:
CO[C@@H]1OC(COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
554.267g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.683g/mol
Monoisotopic Mass:
554.267g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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