Molecule ID: 45480539

IUPAC Name: (2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-amine

Description: The molecule is a polyether composed of eight propylene glycol units capped at both ends by methoxyethyl and 2-aminopropyl groups (PBD entry:1NGX). It has a role as an epitope.

SMILES: COCCO[C@@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC[C@H](C)N

SELFIES: [C][O][C][C][O][C@@H1][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][C@@H1][Branch1][C][C][C][O][C@@H1][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][C@H1][Branch1][C][C][C][O][C][C@H1][Branch1][C][C][N]

InChI: InChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22-,23+,24-,25+,26+,27-,28+,29-,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.7