alumane;tris(ethyl dihydrogen phosphate)

C6H24AlO12P3 — CID 173189565

IUPACalumane;tris(ethyl dihydrogen phosphate)
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[AlH3]
InChIInChI=1S/3C2H7O4P.Al.3H/c3*1-2-6-7(3,4)5;;;;/h3*2H2,1H3,(H2,3,4,5);;;;
InChIKeyFGFLEMNKIKKMQQ-UHFFFAOYSA-N
MW408.15 g/mol
LogP-0.84
Rot. Bonds6

About alumane;tris(ethyl dihydrogen phosphate)

alumane;tris(ethyl dihydrogen phosphate) (PubChem CID 173189565) has the molecular formula C6H24AlO12P3 and a molecular weight of 408.15 g/mol. Its IUPAC name is alumane;tris(ethyl dihydrogen phosphate).

Molecular Properties

Compound Namealumane;tris(ethyl dihydrogen phosphate)
PubChem CID173189565
Molecular FormulaC6H24AlO12P3
Molecular Weight408.15 g/mol
Exact Mass408.03
IUPAC Namealumane;tris(ethyl dihydrogen phosphate)
SMILESCCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[AlH3]
InChIInChI=1S/3C2H7O4P.Al.3H/c3*1-2-6-7(3,4)5;;;;/h3*2H2,1H3,(H2,3,4,5);;;;
InChIKeyFGFLEMNKIKKMQQ-UHFFFAOYSA-N
XLogP-0.84
TPSA200.28 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
sodium;dihydroxy(oxo)phosphanium;ethyl dihydrogen phosphate;hydride
CID 173290588
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of alumane;tris(ethyl dihydrogen phosphate)?
The IUPAC name of alumane;tris(ethyl dihydrogen phosphate) (CID 173189565) is alumane;tris(ethyl dihydrogen phosphate).
What is the SMILES notation for alumane;tris(ethyl dihydrogen phosphate)?
The canonical SMILES for alumane;tris(ethyl dihydrogen phosphate) is CCOP(=O)(O)O.CCOP(=O)(O)O.CCOP(=O)(O)O.[AlH3].
What is the InChIKey of alumane;tris(ethyl dihydrogen phosphate)?
The InChIKey is FGFLEMNKIKKMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7O4P.Al.3H/c3*1-2-6-7(3,4)5;;;;/h3*2H2,1H3,(H2,3,4,5);;;;.
What are the key properties of alumane;tris(ethyl dihydrogen phosphate)?
alumane;tris(ethyl dihydrogen phosphate) has a molecular weight of 408.15 g/mol, XLogP of -0.84, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tris(ethyl dihydrogen phosphate) is sourced from PubChem (CID 173189565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).