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100639-11-0 | β-D-Glucopyranosylamine, N-(triphenylphosphoranylidene)-
CAS No: 100639-11-0 Catalog No: AG0002JD MDL No:
Product Description
Catalog Number:
AG0002JD
Chemical Name:
β-D-Glucopyranosylamine, N-(triphenylphosphoranylidene)-
CAS Number:
100639-11-0
Molecular Formula:
C24H26NO5P
Molecular Weight:
439.4407
IUPAC Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(triphenyl-λ5-phosphanylidene)amino]oxane-3,4,5-triol
InChI:
InChI=1S/C24H26NO5P/c26-16-20-21(27)22(28)23(29)24(30-20)25-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,26-29H,16H2/t20-,21-,22+,23-,24-/m1/s1
InChI Key:
OLQMHXVVWOYMOW-GNADVCDUSA-N
SMILES:
OC[C@H]1O[C@@H](N=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
439.155g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
439.448g/mol
Monoisotopic Mass:
439.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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