CID 175111542

C2H6AlO8P3 — CID 175111542

IUPAC—
SMILESO=P[O-].O=P[O-].O=P[O-].OCCO.[Al+3]
InChIInChI=1S/C2H6O2.Al.3HO2P/c3-1-2-4;;3*1-3-2/h3-4H,1-2H2;;3*(H,1,2)/q;+3;;;/p-3
InChIKeyKDZWGVDAGLPQGM-UHFFFAOYSA-K
MW277.97 g/mol
LogP-2.75
Rot. Bonds1

About CID 175111542

CID 175111542 (PubChem CID 175111542) has the molecular formula C2H6AlO8P3 and a molecular weight of 277.97 g/mol.

Molecular Properties

Compound NameCID 175111542
PubChem CID175111542
Molecular FormulaC2H6AlO8P3
Molecular Weight277.97 g/mol
Exact Mass277.91
IUPAC Name—
SMILESO=P[O-].O=P[O-].O=P[O-].OCCO.[Al+3]
InChIInChI=1S/C2H6O2.Al.3HO2P/c3-1-2-4;;3*1-3-2/h3-4H,1-2H2;;3*(H,1,2)/q;+3;;;/p-3
InChIKeyKDZWGVDAGLPQGM-UHFFFAOYSA-K
XLogP-2.75
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.97
LogP ≤ 5-2.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175111542?
The IUPAC name of CID 175111542 (CID 175111542) is not available.
What is the SMILES notation for CID 175111542?
The canonical SMILES for CID 175111542 is O=P[O-].O=P[O-].O=P[O-].OCCO.[Al+3].
What is the InChIKey of CID 175111542?
The InChIKey is KDZWGVDAGLPQGM-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H6O2.Al.3HO2P/c3-1-2-4;;3*1-3-2/h3-4H,1-2H2;;3*(H,1,2)/q;+3;;;/p-3.
What are the key properties of CID 175111542?
CID 175111542 has a molecular weight of 277.97 g/mol, XLogP of -2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175111542 is sourced from PubChem (CID 175111542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).