[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate

C6H9NO6P2 — CID 87474721

IUPAC[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(O)(O)=Nc1ccccc1
InChIInChI=1S/C6H9NO6P2/c8-14(9,13-15(10,11)12)7-6-4-2-1-3-5-6/h1-5,8-9H,(H2,10,11,12)
InChIKeyVVPKSLLAIHJJSX-UHFFFAOYSA-N
MW253.09 g/mol
LogP1.36
Rot. Bonds3

About [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate

[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate (PubChem CID 87474721) has the molecular formula C6H9NO6P2 and a molecular weight of 253.09 g/mol. Its IUPAC name is [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate.

Molecular Properties

Compound Name[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate
PubChem CID87474721
Molecular FormulaC6H9NO6P2
Molecular Weight253.09 g/mol
Exact Mass252.99
IUPAC Name[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(O)(O)=Nc1ccccc1
InChIInChI=1S/C6H9NO6P2/c8-14(9,13-15(10,11)12)7-6-4-2-1-3-5-6/h1-5,8-9H,(H2,10,11,12)
InChIKeyVVPKSLLAIHJJSX-UHFFFAOYSA-N
XLogP1.36
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
CID 87475279
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
methane;phenyl phosphono hydrogen phosphate
CID 88820079
bis(phenylsulfanyl)phosphoryl dihydrogen phosphate
CID 87474292
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
CID 131875092
CID 131875092
phosphono dihydrogen phosphate;tetraphenyl-(2-phenylphenyl)-λ5-phosphane
CID 174553111
chlorobenzene;chloro dihydrogen phosphate
CID 67722958
anilino [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 174627970
O-phosphono benzenecarbothioate
CID 175179280
benzene-1,2,3-triol;diphosphono hydrogen phosphate
CID 87864287

Frequently Asked Questions

What is the IUPAC name of [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate?
The IUPAC name of [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate (CID 87474721) is [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate.
What is the SMILES notation for [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate?
The canonical SMILES for [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate is O=P(O)(O)OP(O)(O)=Nc1ccccc1.
What is the InChIKey of [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate?
The InChIKey is VVPKSLLAIHJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6P2/c8-14(9,13-15(10,11)12)7-6-4-2-1-3-5-6/h1-5,8-9H,(H2,10,11,12).
What are the key properties of [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate?
[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate has a molecular weight of 253.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate is sourced from PubChem (CID 87474721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).