Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 379.471781 [g/mol] Molecular Formula C18H38NO5P XLogP 3.3 H-Bond Donor 4 H-Bond Acceptor 6 Rotatable Bond Count 17 Exact Mass 379.24876 MonoIsotopic Mass 379.24876 Topological Polar Surface Area 113 Heavy Atom Count 25 Formal Charge 0 Complexity 373 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2-amino-3-hydroxyoctadec-4-enyl) dihydrogen phosphate
Canonical SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
InChI: InChI=1/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-
24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/f/h21-22H
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