1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate

C10H19O8P — CID 21023155

IUPAC1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
SMILESCC(=O)OC(C)COP(=O)(O)OCC(C)OC(C)=O
InChIInChI=1S/C10H19O8P/c1-7(17-9(3)11)5-15-19(13,14)16-6-8(2)18-10(4)12/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyZSZGGYMJJIFOCN-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.02
Rot. Bonds8

About 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate

1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate (PubChem CID 21023155) has the molecular formula C10H19O8P and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate.

Molecular Properties

Compound Name1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
PubChem CID21023155
Molecular FormulaC10H19O8P
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC Name1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
SMILESCC(=O)OC(C)COP(=O)(O)OCC(C)OC(C)=O
InChIInChI=1S/C10H19O8P/c1-7(17-9(3)11)5-15-19(13,14)16-6-8(2)18-10(4)12/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyZSZGGYMJJIFOCN-UHFFFAOYSA-N
XLogP1.02
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(iodomethoxy)propan-2-yl acetate
CID 138608644
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
[2-[(3R)-3-aminobutanoyl]oxy-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxypropyl] (3R)-3-aminobutanoate
CID 174184622
[(2R)-4-[(2S)-3-[2-[2-[[(2S)-3-[(3R)-3-acetyloxybutoxy]-2-(methylamino)propoxy]-hydroxyphosphoryl]oxyethylcarbamoylamino]ethoxy-hydroxyphosphoryl]oxy-2-(methylamino)propoxy]butan-2-yl] acetate
CID 88927615
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] tridecanoate
CID 138255271
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] octadecanoate
CID 138210937
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate?
The IUPAC name of 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate (CID 21023155) is 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate.
What is the SMILES notation for 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate?
The canonical SMILES for 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate is CC(=O)OC(C)COP(=O)(O)OCC(C)OC(C)=O.
What is the InChIKey of 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate?
The InChIKey is ZSZGGYMJJIFOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O8P/c1-7(17-9(3)11)5-15-19(13,14)16-6-8(2)18-10(4)12/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate?
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate has a molecular weight of 298.23 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate is sourced from PubChem (CID 21023155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).