[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid

C11H14NO9P3 — CID 161093480

IUPAC[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid
SMILESCc1cccc2c(NP(=O)(O)OP(=O)(O)OP(=O)(O)O)cccc12
InChIInChI=1S/C11H14NO9P3/c1-8-4-2-6-10-9(8)5-3-7-11(10)12-22(13,14)20-24(18,19)21-23(15,16)17/h2-7H,1H3,(H,18,19)(H2,12,13,14)(H2,15,16,17)
InChIKeyOWZQNBDMVWXUHS-UHFFFAOYSA-N
MW397.15 g/mol
LogP2.89
Rot. Bonds6

About [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid

[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid (PubChem CID 161093480) has the molecular formula C11H14NO9P3 and a molecular weight of 397.15 g/mol. Its IUPAC name is [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid.

Molecular Properties

Compound Name[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid
PubChem CID161093480
Molecular FormulaC11H14NO9P3
Molecular Weight397.15 g/mol
Exact Mass396.99
IUPAC Name[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid
SMILESCc1cccc2c(NP(=O)(O)OP(=O)(O)OP(=O)(O)O)cccc12
InChIInChI=1S/C11H14NO9P3/c1-8-4-2-6-10-9(8)5-3-7-11(10)12-22(13,14)20-24(18,19)21-23(15,16)17/h2-7H,1H3,(H,18,19)(H2,12,13,14)(H2,15,16,17)
InChIKeyOWZQNBDMVWXUHS-UHFFFAOYSA-N
XLogP2.89
TPSA162.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.15
LogP ≤ 52.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylbenzoic acid
CID 57310076
2-(2,3-dimethylphenyl)propan-2-yl phosphono hydrogen phosphate
CID 154379254
1,5-dimethylnaphthalene
CID 162159355
CID 170843855
CID 170843855
[hydroxy(phosphonooxy)phosphoryl]oxy-(3-methyl-2-pyridinyl)phosphinic acid
CID 174882327
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
bis(benzene-1,3-diol);[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174668054
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
phosphono [2,3,5,6-tetrakis(2,6-dimethylphenyl)-4-(4-hydroxyphenyl)phenyl] hydrogen phosphate
CID 22347898
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
phosphono (2,3,5,6-tetramethylphenyl) hydrogen phosphate
CID 176890323
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid?
The IUPAC name of [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid (CID 161093480) is [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid.
What is the SMILES notation for [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid?
The canonical SMILES for [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid is Cc1cccc2c(NP(=O)(O)OP(=O)(O)OP(=O)(O)O)cccc12.
What is the InChIKey of [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid?
The InChIKey is OWZQNBDMVWXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO9P3/c1-8-4-2-6-10-9(8)5-3-7-11(10)12-22(13,14)20-24(18,19)21-23(15,16)17/h2-7H,1H3,(H,18,19)(H2,12,13,14)(H2,15,16,17).
What are the key properties of [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid?
[hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid has a molecular weight of 397.15 g/mol, XLogP of 2.89, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phosphonooxy)phosphoryl]oxy-N-(5-methylnaphthalen-1-yl)phosphonamidic acid is sourced from PubChem (CID 161093480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).