CID 6368648

C6H18AlO9P3+3 — CID 6368648

IUPAC—
SMILESCCO[P+](=O)O.CCO[P+](=O)O.CCO[P+](=O)O.[Al]
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/p+3
InChIKeyMRAORAXAOSPYOX-UHFFFAOYSA-Q
MW354.11 g/mol
LogP1.64
Rot. Bonds6

About CID 6368648

CID 6368648 (PubChem CID 6368648) has the molecular formula C6H18AlO9P3+3 and a molecular weight of 354.11 g/mol.

Molecular Properties

Compound NameCID 6368648
PubChem CID6368648
Molecular FormulaC6H18AlO9P3+3
Molecular Weight354.11 g/mol
Exact Mass354.00
IUPAC Name—
SMILESCCO[P+](=O)O.CCO[P+](=O)O.CCO[P+](=O)O.[Al]
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/p+3
InChIKeyMRAORAXAOSPYOX-UHFFFAOYSA-Q
XLogP1.64
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.11
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 6368648 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
CID 157268042
CID 157268042
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
CID 87841333
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082

Frequently Asked Questions

What is the IUPAC name of CID 6368648?
The IUPAC name of CID 6368648 (CID 6368648) is not available.
What is the SMILES notation for CID 6368648?
The canonical SMILES for CID 6368648 is CCO[P+](=O)O.CCO[P+](=O)O.CCO[P+](=O)O.[Al].
What is the InChIKey of CID 6368648?
The InChIKey is MRAORAXAOSPYOX-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/p+3.
What are the key properties of CID 6368648?
CID 6368648 has a molecular weight of 354.11 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6368648 is sourced from PubChem (CID 6368648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).