Molecule ID: 71627175

IUPAC Name: 2-[(2-aminooxyacetyl)amino]ethyl [(2R)-2,3-dihexadecoxypropyl] hydrogen phosphate

Description: The molecule is a dialkylglycerophosphoethanolamine in which the amino group of 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine (DHPE) carries an (aminooxy)acetyl functionality. It has a role as a microarray analysis reagent. It derives from a 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine.

SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN=C(O)CON)OCCCCCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][=C][Branch1][C][O][C][O][N][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C39H81N2O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-45-35-38(36-49-50(43,44)48-34-31-41-39(42)37-47-40)46-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-37,40H2,1-2H3,(H,41,42)(H,43,44)/t38-/m1/s1

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 10.4