lithium;diacetyloxyphosphoryl acetate;hydride

C6H10LiO7P — CID 175589936

IUPAClithium;diacetyloxyphosphoryl acetate;hydride
SMILESCC(=O)OP(=O)(OC(C)=O)OC(C)=O.[H-].[Li+]
InChIInChI=1S/C6H9O7P.Li.H/c1-4(7)11-14(10,12-5(2)8)13-6(3)9;;/h1-3H3;;/q;+1;-1
InChIKeyNTPAHXZMHBRFNL-UHFFFAOYSA-N
MW232.05 g/mol
LogP-2.10
Rot. Bonds3

About lithium;diacetyloxyphosphoryl acetate;hydride

lithium;diacetyloxyphosphoryl acetate;hydride (PubChem CID 175589936) has the molecular formula C6H10LiO7P and a molecular weight of 232.05 g/mol. Its IUPAC name is lithium;diacetyloxyphosphoryl acetate;hydride.

Molecular Properties

Compound Namelithium;diacetyloxyphosphoryl acetate;hydride
PubChem CID175589936
Molecular FormulaC6H10LiO7P
Molecular Weight232.05 g/mol
Exact Mass232.03
IUPAC Namelithium;diacetyloxyphosphoryl acetate;hydride
SMILESCC(=O)OP(=O)(OC(C)=O)OC(C)=O.[H-].[Li+]
InChIInChI=1S/C6H9O7P.Li.H/c1-4(7)11-14(10,12-5(2)8)13-6(3)9;;/h1-3H3;;/q;+1;-1
InChIKeyNTPAHXZMHBRFNL-UHFFFAOYSA-N
XLogP-2.10
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diacetyloxyphosphoryl acetate;hydrate
CID 129021524
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
CID 88649282
lithium;potassium;phosphono acetate
CID 71300541
dimethylphosphoryl acetate
CID 87462570
calcium;[acetyl(acetyloxy)phosphoryl] acetate;hydride
CID 175481862
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
magnesium bis(diacetyl phosphate)
CID 71300565
[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
[methoxy(methyl)phosphoryl] acetate
CID 10034798
bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
CID 87104189
ditert-butylphosphoryl acetate
CID 87532460
[aminooxy(methyl)phosphoryl] acetate
CID 141024548

Frequently Asked Questions

What is the IUPAC name of lithium;diacetyloxyphosphoryl acetate;hydride?
The IUPAC name of lithium;diacetyloxyphosphoryl acetate;hydride (CID 175589936) is lithium;diacetyloxyphosphoryl acetate;hydride.
What is the SMILES notation for lithium;diacetyloxyphosphoryl acetate;hydride?
The canonical SMILES for lithium;diacetyloxyphosphoryl acetate;hydride is CC(=O)OP(=O)(OC(C)=O)OC(C)=O.[H-].[Li+].
What is the InChIKey of lithium;diacetyloxyphosphoryl acetate;hydride?
The InChIKey is NTPAHXZMHBRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O7P.Li.H/c1-4(7)11-14(10,12-5(2)8)13-6(3)9;;/h1-3H3;;/q;+1;-1.
What are the key properties of lithium;diacetyloxyphosphoryl acetate;hydride?
lithium;diacetyloxyphosphoryl acetate;hydride has a molecular weight of 232.05 g/mol, XLogP of -2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;diacetyloxyphosphoryl acetate;hydride is sourced from PubChem (CID 175589936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).