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28457-97-8 | 1,3-Hexadecanediol, 2-amino-, (2S,3R)-
CAS No: 28457-97-8 Catalog No: AG002VCL MDL No:
Product Description
Catalog Number:
AG002VCL
Chemical Name:
1,3-Hexadecanediol, 2-amino-, (2S,3R)-
CAS Number:
28457-97-8
Molecular Formula:
C16H35NO2
Molecular Weight:
273.4546
IUPAC Name:
(2S,3R)-2-aminohexadecane-1,3-diol
InChI:
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1
InChI Key:
ZKLREJQHRKUJHD-JKSUJKDBSA-N
SMILES:
CCCCCCCCCCCCC[C@H]([C@H](CO)N)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
273.267g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.461g/mol
Monoisotopic Mass:
273.267g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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