Molecule ID: 70679251

IUPAC Name: [(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid that is the conjugate acid of 4-hydroxy-15-methylhexadecasphinganine, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of a 15-methylhexadecaphytosphingosine.

SMILES: CC(C)CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO

SELFIES: [C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C][O]

InChI: InChI=1S/C17H37NO3/c1-14(2)11-9-7-5-3-4-6-8-10-12-16(20)17(21)15(18)13-19/h14-17,19-21H,3-13,18H2,1-2H3/p+1/t15-,16+,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.3 Ų
- LogP: 3.8