acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate

C10H16O13P2 — CID 88649282

IUPACacetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
SMILESCC(=O)O.CC(=O)OP(=O)(OC(C)=O)OP(=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H12O11P2.C2H4O2/c1-5(9)15-20(13,16-6(2)10)19-21(14,17-7(3)11)18-8(4)12;1-2(3)4/h1-4H3;1H3,(H,3,4)
InChIKeyFKTVPLCRCAGTCG-UHFFFAOYSA-N
MW406.17 g/mol
LogP1.56
Rot. Bonds6

About acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate

acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate (PubChem CID 88649282) has the molecular formula C10H16O13P2 and a molecular weight of 406.17 g/mol. Its IUPAC name is acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate.

Molecular Properties

Compound Nameacetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
PubChem CID88649282
Molecular FormulaC10H16O13P2
Molecular Weight406.17 g/mol
Exact Mass406.01
IUPAC Nameacetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
SMILESCC(=O)O.CC(=O)OP(=O)(OC(C)=O)OP(=O)(OC(C)=O)OC(C)=O
InChIInChI=1S/C8H12O11P2.C2H4O2/c1-5(9)15-20(13,16-6(2)10)19-21(14,17-7(3)11)18-8(4)12;1-2(3)4/h1-4H3;1H3,(H,3,4)
InChIKeyFKTVPLCRCAGTCG-UHFFFAOYSA-N
XLogP1.56
TPSA185.87 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

diacetyloxyphosphoryl acetate;hydrate
CID 129021524
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
dimethylphosphoryl acetate
CID 87462570
acetic acid;ruthenium
CID 175502908
acetic acid;phosphono dihydrogen phosphate;phosphoric acid
CID 88733603
lithium;potassium;phosphono acetate
CID 71300541
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
magnesium bis(diacetyl phosphate)
CID 71300565
acetic acid
CID 158444727
tripotassium;[acetyloxy(oxido)phosphoryl] phosphate
CID 140751973
acetic acid;cobalt;phosphoric acid
CID 174842184
ditert-butylphosphoryl acetate
CID 87532460

Frequently Asked Questions

What is the IUPAC name of acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate?
The IUPAC name of acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate (CID 88649282) is acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate.
What is the SMILES notation for acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate?
The canonical SMILES for acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate is CC(=O)O.CC(=O)OP(=O)(OC(C)=O)OP(=O)(OC(C)=O)OC(C)=O.
What is the InChIKey of acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate?
The InChIKey is FKTVPLCRCAGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O11P2.C2H4O2/c1-5(9)15-20(13,16-6(2)10)19-21(14,17-7(3)11)18-8(4)12;1-2(3)4/h1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate?
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate has a molecular weight of 406.17 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate is sourced from PubChem (CID 88649282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).