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14216-22-9 | (2R,3R,4R,5S)-6-(Ethylamino)hexane-1,2,3,4,5-pentaol
CAS No: 14216-22-9 Catalog No: AG003T0B MDL No:MFCD03789564
Product Description
Catalog Number:
AG003T0B
Chemical Name:
(2R,3R,4R,5S)-6-(Ethylamino)hexane-1,2,3,4,5-pentaol
CAS Number:
14216-22-9
Molecular Formula:
C8H19NO5
Molecular Weight:
209.2402
MDL Number:
MFCD03789564
IUPAC Name:
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChI Key:
IKXCHOUDIPZROZ-LXGUWJNJSA-N
SMILES:
CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
EC Number:
238-073-8
UNII:
K94D9J0608
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
209.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
209.242g/mol
Monoisotopic Mass:
209.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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