[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid

C12H24AlO12P3 — CID 141259747

IUPAC[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid
SMILESCCP(=O)(O)CC(=O)O[Al](OC(=O)CP(=O)(O)CC)OC(=O)CP(=O)(O)CC
InChIInChI=1S/3C4H9O4P.Al/c3*1-2-9(7,8)3-4(5)6;/h3*2-3H2,1H3,(H,5,6)(H,7,8);/q;;;+3/p-3
InChIKeyQJPSTLJGNALYAV-UHFFFAOYSA-K
MW480.22 g/mol
LogP0.47
Rot. Bonds12

About [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid

[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid (PubChem CID 141259747) has the molecular formula C12H24AlO12P3 and a molecular weight of 480.22 g/mol. Its IUPAC name is [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid.

Molecular Properties

Compound Name[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid
PubChem CID141259747
Molecular FormulaC12H24AlO12P3
Molecular Weight480.22 g/mol
Exact Mass480.03
IUPAC Name[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid
SMILESCCP(=O)(O)CC(=O)O[Al](OC(=O)CP(=O)(O)CC)OC(=O)CP(=O)(O)CC
InChIInChI=1S/3C4H9O4P.Al/c3*1-2-9(7,8)3-4(5)6;/h3*2-3H2,1H3,(H,5,6)(H,7,8);/q;;;+3/p-3
InChIKeyQJPSTLJGNALYAV-UHFFFAOYSA-K
XLogP0.47
TPSA190.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid?
The IUPAC name of [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid (CID 141259747) is [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid.
What is the SMILES notation for [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid?
The canonical SMILES for [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid is CCP(=O)(O)CC(=O)O[Al](OC(=O)CP(=O)(O)CC)OC(=O)CP(=O)(O)CC.
What is the InChIKey of [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid?
The InChIKey is QJPSTLJGNALYAV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H9O4P.Al/c3*1-2-9(7,8)3-4(5)6;/h3*2-3H2,1H3,(H,5,6)(H,7,8);/q;;;+3/p-3.
What are the key properties of [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid?
[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid has a molecular weight of 480.22 g/mol, XLogP of 0.47, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid is sourced from PubChem (CID 141259747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).