1-O-(5'-carboxypentyl)glycero-3-phosphothreonine

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Basic information

CAS: 158059-97-3
Standard SMILES: C[C@@H](OP(=O)(O)OC[C@@H](O)COCCCCCC(=O)O)[C@H](N)C(=O)O
InChIKey: CYVCRELICGRMTP-SCVCMEIPSA-N
Molecular formula: C13H26NO10P
Average molar mass: 387.32 g/mol
Monoisotopic mass: 387.12943302

Overview

inhibits steroid receptor complex activation

Names & identifiers

Preferred name: 1-O-(5'-carboxypentyl)glycero-3-phosphothreonine
IUPAC: 6-[(2S)-3-[[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]hexanoic acid
English name: 1-O-(5'-carboxypentyl)glycero-3-phosphothreonine
Molecular formula: C13H26NO10P
Molecular weight: 387.32

Names & synonyms

H-Gpt-1158059-97-31-O-(5'-Carboxypentyl)glycero-3-phosphothreonineDTXSID60166358RefChem:76658DTXCID90888496-[(2S)-3-{[{[(1S,2R)-1-Amino-1-carboxypropan-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy]hexanoic acidL-Threonine, 3-[(5-carboxypentyl)oxy]-2-hydroxypropyl hydrogen phosphate (ester), (S)- (9CI)

Database identifiers

CAS: 158059-97-3
PubChem CID: 190908
DTXSID: DTXSID60166358

Properties

Computed structural properties

XLogP: -4.4
Topological polar surface area: 186 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 11
Rotatable bonds: 15
Heavy atoms: 25
Formal charge: 0
Complexity: 460

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Compound notes

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