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18791-25-8 | Serine, N-(1-oxotetradecyl)-, monosodium salt (9CI)
CAS No: 18791-25-8 Catalog No: AG002GKW MDL No:
Product Description
Catalog Number:
AG002GKW
Chemical Name:
Serine, N-(1-oxotetradecyl)-, monosodium salt (9CI)
CAS Number:
18791-25-8
Molecular Formula:
C17H32NNaO4
Molecular Weight:
337.4300
IUPAC Name:
sodium;3-hydroxy-2-(tetradecanoylamino)propanoate
InChI:
InChI=1S/C17H33NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22;/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22);/q;+1/p-1
InChI Key:
LYQLUQZODYWBPR-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])CO.[Na+]
EC Number:
242-576-8
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.223g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.436g/mol
Monoisotopic Mass:
337.223g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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