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23323-37-7 | D-Glucitol, 1-deoxy-1-(octylamino)-
CAS No: 23323-37-7 Catalog No: AG002MUW MDL No:MFCD00134352
Product Description
Catalog Number:
AG002MUW
Chemical Name:
D-Glucitol, 1-deoxy-1-(octylamino)-
CAS Number:
23323-37-7
Molecular Formula:
C14H31NO5
Molecular Weight:
293.3996
MDL Number:
MFCD00134352
IUPAC Name:
(2R,3R,4R,5S)-6-(octylamino)hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3/t11-,12+,13+,14+/m0/s1
InChI Key:
ZRRNJJURLBXWLL-REWJHTLYSA-N
SMILES:
CCCCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
EC Number:
245-582-9
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
293.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
293.404g/mol
Monoisotopic Mass:
293.22g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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