trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate

C6H11Li3O12P2 — CID 117063828

IUPACtrilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate
SMILESO=C(CO)COP(=O)([O-])O.O=C(CO)COP(=O)([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/2C3H7O6P.3Li/c2*4-1-3(5)2-9-10(6,7)8;;;/h2*4H,1-2H2,(H2,6,7,8);;;/q;;3*+1/p-3
InChIKeyXDTGFFYFQNRXME-UHFFFAOYSA-K
MW357.91 g/mol
LogP-13.57
Rot. Bonds8

About trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate

trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate (PubChem CID 117063828) has the molecular formula C6H11Li3O12P2 and a molecular weight of 357.91 g/mol. Its IUPAC name is trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate.

Molecular Properties

Compound Nametrilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate
PubChem CID117063828
Molecular FormulaC6H11Li3O12P2
Molecular Weight357.91 g/mol
Exact Mass358.02
IUPAC Nametrilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate
SMILESO=C(CO)COP(=O)([O-])O.O=C(CO)COP(=O)([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/2C3H7O6P.3Li/c2*4-1-3(5)2-9-10(6,7)8;;;/h2*4H,1-2H2,(H2,6,7,8);;;/q;;3*+1/p-3
InChIKeyXDTGFFYFQNRXME-UHFFFAOYSA-K
XLogP-13.57
TPSA216.61 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.91
LogP ≤ 5-13.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
CID 175521798
hydrogen peroxide;(3-hydroxy-2-oxopropyl) dihydrogen phosphate
CID 174800501
hydroxymethyl hydrogen phosphate;methane;propane
CID 159004850
(3-hydroxy-2-oxopropyl) (2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl) hydrogen phosphate
CID 4634718
sodium 2,3-dibromopropyl hydrogen phosphate
CID 23705153
disodium;(3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate
CID 164512399
4-[hydroxy-(2-hydroxyacetyl)amino]butyl hydrogen phosphate
CID 91930183
[(3S,4R,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptyl] phosphate
CID 134820516
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142
2-phosphonatooxyethyl phosphate
CID 22721325
2-azaniumylethyl hydrogen phosphate
CID 5232324
azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 173440071

Frequently Asked Questions

What is the IUPAC name of trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate?
The IUPAC name of trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate (CID 117063828) is trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate.
What is the SMILES notation for trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate?
The canonical SMILES for trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate is O=C(CO)COP(=O)([O-])O.O=C(CO)COP(=O)([O-])[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate?
The InChIKey is XDTGFFYFQNRXME-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H7O6P.3Li/c2*4-1-3(5)2-9-10(6,7)8;;;/h2*4H,1-2H2,(H2,6,7,8);;;/q;;3*+1/p-3.
What are the key properties of trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate?
trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate has a molecular weight of 357.91 g/mol, XLogP of -13.57, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;(3-hydroxy-2-oxopropyl) hydrogen phosphate;(3-hydroxy-2-oxopropyl) phosphate is sourced from PubChem (CID 117063828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).