anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

C6H10NO10P3 — CID 174627970

IUPACanilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)ONc1ccccc1
InChIInChI=1S/C6H10NO10P3/c8-18(9,10)16-20(13,14)17-19(11,12)15-7-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)(H,13,14)(H2,8,9,10)
InChIKeySFZLUJKCVGPETB-UHFFFAOYSA-N
MW349.07 g/mol
LogP1.36
Rot. Bonds7

About anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate (PubChem CID 174627970) has the molecular formula C6H10NO10P3 and a molecular weight of 349.07 g/mol. Its IUPAC name is anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Nameanilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
PubChem CID174627970
Molecular FormulaC6H10NO10P3
Molecular Weight349.07 g/mol
Exact Mass348.95
IUPAC Nameanilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)ONc1ccccc1
InChIInChI=1S/C6H10NO10P3/c8-18(9,10)16-20(13,14)17-19(11,12)15-7-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)(H,13,14)(H2,8,9,10)
InChIKeySFZLUJKCVGPETB-UHFFFAOYSA-N
XLogP1.36
TPSA171.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 51.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
methane;phenyl phosphono hydrogen phosphate
CID 88820079
bis(benzene-1,3-diol);[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174668054
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
CID 131848730
CID 131848730
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104

Frequently Asked Questions

What is the IUPAC name of anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The IUPAC name of anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate (CID 174627970) is anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.
What is the SMILES notation for anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The canonical SMILES for anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(=O)(O)ONc1ccccc1.
What is the InChIKey of anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
The InChIKey is SFZLUJKCVGPETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO10P3/c8-18(9,10)16-20(13,14)17-19(11,12)15-7-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)(H,13,14)(H2,8,9,10).
What are the key properties of anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate?
anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate has a molecular weight of 349.07 g/mol, XLogP of 1.36, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 174627970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).