[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate

C9H14O10P2 — CID 91654231

IUPAC[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
SMILESCC(=O)OP(=O)(CP(=O)(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O10P2/c1-6(10)16-20(14,17-7(2)11)5-21(15,18-8(3)12)19-9(4)13/h5H2,1-4H3
InChIKeyFKHXXJRKGVDPQP-UHFFFAOYSA-N
MW344.15 g/mol
LogP1.58
Rot. Bonds6

About [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate

[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate (PubChem CID 91654231) has the molecular formula C9H14O10P2 and a molecular weight of 344.15 g/mol. Its IUPAC name is [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate.

Molecular Properties

Compound Name[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
PubChem CID91654231
Molecular FormulaC9H14O10P2
Molecular Weight344.15 g/mol
Exact Mass344.01
IUPAC Name[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
SMILESCC(=O)OP(=O)(CP(=O)(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C9H14O10P2/c1-6(10)16-20(14,17-7(2)11)5-21(15,18-8(3)12)19-9(4)13/h5H2,1-4H3
InChIKeyFKHXXJRKGVDPQP-UHFFFAOYSA-N
XLogP1.58
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
dimethylphosphoryl acetate
CID 87462570
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
lithium;potassium;phosphono acetate
CID 71300541
magnesium bis(diacetyl phosphate)
CID 71300565
[methoxy(methyl)phosphoryl] acetate
CID 10034798
calcium;[acetyl(acetyloxy)phosphoryl] acetate;hydride
CID 175481862
ditert-butylphosphoryl acetate
CID 87532460
acetic acid;[acetyloxy(diacetyloxyphosphoryloxy)phosphoryl] acetate
CID 88649282
[fluorooxy(hydroxy)phosphoryl] acetate
CID 54246379
[aminooxy(methyl)phosphoryl] acetate
CID 141024548

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate?
The IUPAC name of [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate (CID 91654231) is [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate.
What is the SMILES notation for [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate?
The canonical SMILES for [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate is CC(=O)OP(=O)(CP(=O)(OC(C)=O)OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate?
The InChIKey is FKHXXJRKGVDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O10P2/c1-6(10)16-20(14,17-7(2)11)5-21(15,18-8(3)12)19-9(4)13/h5H2,1-4H3.
What are the key properties of [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate?
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate has a molecular weight of 344.15 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate is sourced from PubChem (CID 91654231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).