lithium;methanol;4-oxo-4-phosphonobutanoate

C5H10LiO7P — CID 175025101

IUPAClithium;methanol;4-oxo-4-phosphonobutanoate
SMILESCO.O=C([O-])CCC(=O)P(=O)(O)O.[Li+]
InChIInChI=1S/C4H7O6P.CH4O.Li/c5-3(6)1-2-4(7)11(8,9)10;1-2;/h1-2H2,(H,5,6)(H2,8,9,10);2H,1H3;/q;;+1/p-1
InChIKeyMRQXZFGFOLPXGL-UHFFFAOYSA-M
MW220.04 g/mol
LogP-5.17
Rot. Bonds4

About lithium;methanol;4-oxo-4-phosphonobutanoate

lithium;methanol;4-oxo-4-phosphonobutanoate (PubChem CID 175025101) has the molecular formula C5H10LiO7P and a molecular weight of 220.04 g/mol. Its IUPAC name is lithium;methanol;4-oxo-4-phosphonobutanoate.

Molecular Properties

Compound Namelithium;methanol;4-oxo-4-phosphonobutanoate
PubChem CID175025101
Molecular FormulaC5H10LiO7P
Molecular Weight220.04 g/mol
Exact Mass220.03
IUPAC Namelithium;methanol;4-oxo-4-phosphonobutanoate
SMILESCO.O=C([O-])CCC(=O)P(=O)(O)O.[Li+]
InChIInChI=1S/C4H7O6P.CH4O.Li/c5-3(6)1-2-4(7)11(8,9)10;1-2;/h1-2H2,(H,5,6)(H2,8,9,10);2H,1H3;/q;;+1/p-1
InChIKeyMRQXZFGFOLPXGL-UHFFFAOYSA-M
XLogP-5.17
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 5-5.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;butanedioate;methanol
CID 160588999
lithium 4-[bis(hydroxymethoxy)phosphoryl]-4-oxobutanoate
CID 174833877
trisodium;butanedioate;dihydrogen phosphate
CID 160603820
azanium;lithium;butanedioate
CID 18352245
CID 166603981
CID 166603981
bis(butanedioate);osmium(4+)
CID 159559487
(18-oxo-18-phosphonooctadecanoyl)phosphonic acid
CID 19008747
lithium;hexanedioate;hydron
CID 87066964
3-aminopropanoylphosphonic acid
CID 22644526
(2,7-dioxo-7-phosphonoheptanoyl)phosphonic acid
CID 123379596
copper;zinc;bis(butanedioate)
CID 159835693
disodium;butanedioate;ethanol
CID 86659235

Frequently Asked Questions

What is the IUPAC name of lithium;methanol;4-oxo-4-phosphonobutanoate?
The IUPAC name of lithium;methanol;4-oxo-4-phosphonobutanoate (CID 175025101) is lithium;methanol;4-oxo-4-phosphonobutanoate.
What is the SMILES notation for lithium;methanol;4-oxo-4-phosphonobutanoate?
The canonical SMILES for lithium;methanol;4-oxo-4-phosphonobutanoate is CO.O=C([O-])CCC(=O)P(=O)(O)O.[Li+].
What is the InChIKey of lithium;methanol;4-oxo-4-phosphonobutanoate?
The InChIKey is MRQXZFGFOLPXGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O6P.CH4O.Li/c5-3(6)1-2-4(7)11(8,9)10;1-2;/h1-2H2,(H,5,6)(H2,8,9,10);2H,1H3;/q;;+1/p-1.
What are the key properties of lithium;methanol;4-oxo-4-phosphonobutanoate?
lithium;methanol;4-oxo-4-phosphonobutanoate has a molecular weight of 220.04 g/mol, XLogP of -5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methanol;4-oxo-4-phosphonobutanoate is sourced from PubChem (CID 175025101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).