alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate

H14Al2O19P6 — CID 174679314

IUPACalumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[AlH3].[AlH3]
InChIInChI=1S/2Al.H8O19P6.6H/c;;1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6;;;;;;/h;;(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H2,1,2,3)(H2,4,5,6);;;;;;
InChIKeyHBJPSMUARYZQKB-UHFFFAOYSA-N
MW557.90 g/mol
LogP-2.71
Rot. Bonds10

About alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate

alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 174679314) has the molecular formula H14Al2O19P6 and a molecular weight of 557.90 g/mol. Its IUPAC name is alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Namealumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
PubChem CID174679314
Molecular FormulaH14Al2O19P6
Molecular Weight557.90 g/mol
Exact Mass557.82
IUPAC Namealumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[AlH3].[AlH3]
InChIInChI=1S/2Al.H8O19P6.6H/c;;1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6;;;;;;/h;;(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H2,1,2,3)(H2,4,5,6);;;;;;
InChIKeyHBJPSMUARYZQKB-UHFFFAOYSA-N
XLogP-2.71
TPSA310.41 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500557.90
LogP ≤ 5-2.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate (CID 174679314) is alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[AlH3].[AlH3].
What is the InChIKey of alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is HBJPSMUARYZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.H8O19P6.6H/c;;1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6;;;;;;/h;;(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H2,1,2,3)(H2,4,5,6);;;;;;.
What are the key properties of alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate?
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 557.90 g/mol, XLogP of -2.71, 10 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 174679314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).