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24558-60-9 | 4-Tetradecene-1,3-diol, 2-amino-, (2S,3R,4E)-
CAS No: 24558-60-9 Catalog No: AG002OJI MDL No:
Product Description
Catalog Number:
AG002OJI
Chemical Name:
4-Tetradecene-1,3-diol, 2-amino-, (2S,3R,4E)-
CAS Number:
24558-60-9
Molecular Formula:
C14H29NO2
Molecular Weight:
243.3856
IUPAC Name:
(E,2S,3R)-2-aminotetradec-4-ene-1,3-diol
InChI:
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
InChI Key:
VDRZDTXJMRRVMF-NXFSIWHZSA-N
SMILES:
CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
243.22g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.391g/mol
Monoisotopic Mass:
243.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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