Structural Complex
Chemical ID: A1JXZ
IUPAC Name: (R)-2-hydroxypalmitic acid
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C16 H32 O3
Molecular weight: 272.423
Hydrogen Bond Acceptor: 3
Hydrogen Bond Donor: 2
Rotatable Bonds: 16
Heavy Atoms: 19
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 (2~{R})-2-oxidanylhexadecanoic acid
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
InChIKey InChI 1.06 JGHSBPIZNUXPLA-OAHLLOKOSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCCCCCCCC[C@@H](O)C(O)=O
SMILES CACTVS 3.385 CCCCCCCCCCCCCC[CH](O)C(O)=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCC[C@H](C(=O)O)O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCC(C(=O)O)O
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