1-Octyl-2-(N-dodecanoylamino)-2-deoxyglycero-3-phosphoglycol

HCID 3083366

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Basic information

CAS: 142723-65-7
Standard SMILES: CCCCCCCCCCCC(=O)N[C@H](COCCCCCCCC)COP(=O)(O)OCCO
InChIKey: OXROQEHXCANNEM-XMMPIXPASA-N
Molecular formula: C25H52NO7P
Average molar mass: 509.7 g/mol
Monoisotopic mass: 509.34814

Overview

phospholipase A2 inhibitor

Names & identifiers

Preferred name: 1-Octyl-2-(N-dodecanoylamino)-2-deoxyglycero-3-phosphoglycol
IUPAC: [(2R)-2-(dodecanoylamino)-3-octoxypropyl] 2-hydroxyethyl hydrogen phosphate
English name: 1-octyl-2-(N-dodecanoylamino)-2-deoxyglycero-3-phosphoglycol
Molecular formula: C25H52NO7P
Molecular weight: 509.656641

Names & synonyms

Odadgpg1-Octyl-2-(N-dodecanoylamino)-2-deoxyglycero-3-phosphoglycol142723-65-7DTXSID50162142RefChem:76787DTXCID1084633(R)-1-Octyl-2-(N-dodecanoylamino)-2-deoxyglycero-3-phosphoglycolPhosphoric acid, mono(2-hydroxyethyl) mono(3-(octyloxy)-2-((1-ocododecyl)amino)propyl) ester, (R)-(2R)-2-Dodecanamido-3-(octyloxy)propyl 2-hydroxyethyl hydrogen phosphate

Database identifiers

CAS: 142723-65-7
PubChem CID: 3083366
DTXSID: DTXSID50162142

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 26
Heavy atoms: 34
Formal charge: 0
Complexity: 508

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