[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate

C15H32NO6P — CID 87685795

IUPAC[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
SMILESO=C(CCCCCCCCCCCCCCOP(=O)(O)O)NO
InChIInChI=1S/C15H32NO6P/c17-15(16-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-23(19,20)21/h18H,1-14H2,(H,16,17)(H2,19,20,21)
InChIKeyPBMDQZSZVWYLNB-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.67
Rot. Bonds16

About [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate

[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate (PubChem CID 87685795) has the molecular formula C15H32NO6P and a molecular weight of 353.40 g/mol. Its IUPAC name is [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate.

Molecular Properties

Compound Name[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
PubChem CID87685795
Molecular FormulaC15H32NO6P
Molecular Weight353.40 g/mol
Exact Mass353.20
IUPAC Name[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
SMILESO=C(CCCCCCCCCCCCCCOP(=O)(O)O)NO
InChIInChI=1S/C15H32NO6P/c17-15(16-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-23(19,20)21/h18H,1-14H2,(H,16,17)(H2,19,20,21)
InChIKeyPBMDQZSZVWYLNB-UHFFFAOYSA-N
XLogP3.67
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.67
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
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307
[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 [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate?
The IUPAC name of [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate (CID 87685795) is [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate.
What is the SMILES notation for [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate?
The canonical SMILES for [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate is O=C(CCCCCCCCCCCCCCOP(=O)(O)O)NO.
What is the InChIKey of [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate?
The InChIKey is PBMDQZSZVWYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO6P/c17-15(16-18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-23(19,20)21/h18H,1-14H2,(H,16,17)(H2,19,20,21).
What are the key properties of [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate?
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate has a molecular weight of 353.40 g/mol, XLogP of 3.67, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate is sourced from PubChem (CID 87685795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).