[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid

C30H62NO5P — CID 87683110

IUPAC[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(O)O)NO
InChIInChI=1S/C30H62NO5P/c32-30(31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(34,35)36/h33H,1-29H2,(H,31,32)(H2,34,35,36)
InChIKeyHRHVWYFWELGXQA-UHFFFAOYSA-N
MW547.80 g/mol
LogP9.59
Rot. Bonds30

About [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid

[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid (PubChem CID 87683110) has the molecular formula C30H62NO5P and a molecular weight of 547.80 g/mol. Its IUPAC name is [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid.

Molecular Properties

Compound Name[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
PubChem CID87683110
Molecular FormulaC30H62NO5P
Molecular Weight547.80 g/mol
Exact Mass547.44
IUPAC Name[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(O)O)NO
InChIInChI=1S/C30H62NO5P/c32-30(31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(34,35)36/h33H,1-29H2,(H,31,32)(H2,34,35,36)
InChIKeyHRHVWYFWELGXQA-UHFFFAOYSA-N
XLogP9.59
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.80
LogP ≤ 59.59
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
[7-(hydroxyamino)-7-oxoheptyl]phosphonic acid
CID 87685964
5-phosphonopentylphosphonic acid
CID 2773804
33-phosphonotritriacontanoic acid
CID 87686825
10-phosphonodecanoic acid
CID 87400342
17-phosphonoheptadecanoic acid
CID 87457522
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
CID 87685795
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101

Frequently Asked Questions

What is the IUPAC name of [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid?
The IUPAC name of [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid (CID 87683110) is [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid.
What is the SMILES notation for [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid?
The canonical SMILES for [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(O)O)NO.
What is the InChIKey of [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid?
The InChIKey is HRHVWYFWELGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62NO5P/c32-30(31-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(34,35)36/h33H,1-29H2,(H,31,32)(H2,34,35,36).
What are the key properties of [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid?
[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid has a molecular weight of 547.80 g/mol, XLogP of 9.59, 30 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid is sourced from PubChem (CID 87683110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).