[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate

C23H48NO6P — CID 87682580

IUPAC[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O)NO
InChIInChI=1S/C23H48NO6P/c25-23(24-26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-30-31(27,28)29/h26H,1-22H2,(H,24,25)(H2,27,28,29)
InChIKeyJRJZOKZMJZERBB-UHFFFAOYSA-N
MW465.61 g/mol
LogP6.79
Rot. Bonds24

About [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate

[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate (PubChem CID 87682580) has the molecular formula C23H48NO6P and a molecular weight of 465.61 g/mol. Its IUPAC name is [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate.

Molecular Properties

Compound Name[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
PubChem CID87682580
Molecular FormulaC23H48NO6P
Molecular Weight465.61 g/mol
Exact Mass465.32
IUPAC Name[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O)NO
InChIInChI=1S/C23H48NO6P/c25-23(24-26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-30-31(27,28)29/h26H,1-22H2,(H,24,25)(H2,27,28,29)
InChIKeyJRJZOKZMJZERBB-UHFFFAOYSA-N
XLogP6.79
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 56.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

[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
[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate
CID 134148141
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
24-phosphonooxytetracosanoic acid
CID 87680802
35-phosphonooxypentatriacontanoic acid
CID 87686848
methyl 5-phosphonooxypentanoate
CID 138740971
[30-(hydroxyamino)-30-oxotriacontyl]phosphonic acid
CID 87683110
[39-(hydroxyamino)-39-oxononatriacontyl]phosphonic acid
CID 87685650

Frequently Asked Questions

What is the IUPAC name of [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate?
The IUPAC name of [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate (CID 87682580) is [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate.
What is the SMILES notation for [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate?
The canonical SMILES for [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate is O=C(CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O)NO.
What is the InChIKey of [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate?
The InChIKey is JRJZOKZMJZERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48NO6P/c25-23(24-26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-30-31(27,28)29/h26H,1-22H2,(H,24,25)(H2,27,28,29).
What are the key properties of [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate?
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate has a molecular weight of 465.61 g/mol, XLogP of 6.79, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate is sourced from PubChem (CID 87682580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).