[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid

C7H16NO5P — CID 87685964

IUPAC[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid
SMILESO=C(CCCCCCP(=O)(O)O)NO
InChIInChI=1S/C7H16NO5P/c9-7(8-10)5-3-1-2-4-6-14(11,12)13/h10H,1-6H2,(H,8,9)(H2,11,12,13)
InChIKeyIMOXANSYARDJSA-UHFFFAOYSA-N
MW225.18 g/mol
LogP0.62
Rot. Bonds7

About [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid

[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid (PubChem CID 87685964) has the molecular formula C7H16NO5P and a molecular weight of 225.18 g/mol. Its IUPAC name is [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid.

Molecular Properties

Compound Name[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid
PubChem CID87685964
Molecular FormulaC7H16NO5P
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid
SMILESO=C(CCCCCCP(=O)(O)O)NO
InChIInChI=1S/C7H16NO5P/c9-7(8-10)5-3-1-2-4-6-14(11,12)13/h10H,1-6H2,(H,8,9)(H2,11,12,13)
InChIKeyIMOXANSYARDJSA-UHFFFAOYSA-N
XLogP0.62
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[39-(hydroxyamino)-39-oxononatriacontyl]phosphonic acid
CID 87685650
[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
CID 87683110
5-phosphonopentylphosphonic acid
CID 2773804
33-phosphonotritriacontanoic acid
CID 87686825
17-phosphonoheptadecanoic acid
CID 87457522
10-phosphonodecanoic acid
CID 87400342
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
CID 87685795
N,16-dihydroxyhexadecanamide
CID 87686064

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid?
The IUPAC name of [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid (CID 87685964) is [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid.
What is the SMILES notation for [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid?
The canonical SMILES for [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid is O=C(CCCCCCP(=O)(O)O)NO.
What is the InChIKey of [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid?
The InChIKey is IMOXANSYARDJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO5P/c9-7(8-10)5-3-1-2-4-6-14(11,12)13/h10H,1-6H2,(H,8,9)(H2,11,12,13).
What are the key properties of [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid?
[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid has a molecular weight of 225.18 g/mol, XLogP of 0.62, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxyamino)-7-oxoheptyl]phosphonic acid is sourced from PubChem (CID 87685964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).