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117168-59-9 | 1,3,4-Octadecanetriol, 2-azido-, (2S,3S,4R)-
CAS No: 117168-59-9 Catalog No: AG000DUB MDL No:
Product Description
Catalog Number:
AG000DUB
Chemical Name:
1,3,4-Octadecanetriol, 2-azido-, (2S,3S,4R)-
CAS Number:
117168-59-9
Molecular Formula:
C18H37N3O3
Molecular Weight:
343.5047
IUPAC Name:
(2S,3S,4R)-2-azidooctadecane-1,3,4-triol
InChI:
InChI=1S/C18H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(23)18(24)16(15-22)20-21-19/h16-18,22-24H,2-15H2,1H3/t16-,17+,18-/m0/s1
InChI Key:
MUTDVCKHIMUXFS-KSZLIROESA-N
SMILES:
CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](N=[N+]=[N-])CO)O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
343.283g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.512g/mol
Monoisotopic Mass:
343.283g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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