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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025079

[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

Formula: C81H154O17P2  |  Mol. Weight: 1462.00 g/mol

IUPAC: [(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

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Overview

Molecular Formula C81H154O17P2
Molecular Weight 1462.00 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy