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160226-28-8 | 4,8-Octadecadiene-1,3-diol, 2-amino-9-methyl-, (2S,3R,4E,8E)-
CAS No: 160226-28-8 Catalog No: AG001RRO MDL No:
Product Description
Catalog Number:
AG001RRO
Chemical Name:
4,8-Octadecadiene-1,3-diol, 2-amino-9-methyl-, (2S,3R,4E,8E)-
CAS Number:
160226-28-8
Molecular Formula:
C19H37NO2
Molecular Weight:
311.5026
IUPAC Name:
(2S,3R)-2-amino-9-methyloctadeca-4,8-diene-1,3-diol
InChI:
InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h12,14-15,18-19,21-22H,3-11,13,16,20H2,1-2H3/t18-,19+/m0/s1
InChI Key:
QCUHPIBMMDIRKL-RBUKOAKNSA-N
SMILES:
CCCCCCCCC/C(=C/CC/C=C/[C@H]([C@H](CO)N)O)/C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.51g/mol
Monoisotopic Mass:
311.282g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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