17-(hydroxyamino)heptadecane-1,1,17-triol

C17H37NO4 — CID 123788893

IUPAC17-(hydroxyamino)heptadecane-1,1,17-triol
SMILESONC(O)CCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C17H37NO4/c19-16(18-22)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h16-22H,1-15H2
InChIKeyQLEPGCGUPQOJBM-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.45
Rot. Bonds17

About 17-(hydroxyamino)heptadecane-1,1,17-triol

17-(hydroxyamino)heptadecane-1,1,17-triol (PubChem CID 123788893) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is 17-(hydroxyamino)heptadecane-1,1,17-triol.

Molecular Properties

Compound Name17-(hydroxyamino)heptadecane-1,1,17-triol
PubChem CID123788893
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC Name17-(hydroxyamino)heptadecane-1,1,17-triol
SMILESONC(O)CCCCCCCCCCCCCCCC(O)O
InChIInChI=1S/C17H37NO4/c19-16(18-22)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h16-22H,1-15H2
InChIKeyQLEPGCGUPQOJBM-UHFFFAOYSA-N
XLogP3.45
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

octane-1,1,8,8-tetrol
CID 88519685
N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide
CID 123287149
14-(oxidoamino)tetradecane-1,1-diol
CID 87132347
10-(methylamino)decane-1,1-diol
CID 151651816
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
decane;dodecane-1,1-diol
CID 162011285
nonacosane-1,1-diol
CID 23066924
14-aminotetradecane-1,1-diol
CID 87370531
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
18,18-dihydroxyoctadecan-2-one
CID 123837048
21,21-dihydroxyhenicosylazanium chloride
CID 139822452

Frequently Asked Questions

What is the IUPAC name of 17-(hydroxyamino)heptadecane-1,1,17-triol?
The IUPAC name of 17-(hydroxyamino)heptadecane-1,1,17-triol (CID 123788893) is 17-(hydroxyamino)heptadecane-1,1,17-triol.
What is the SMILES notation for 17-(hydroxyamino)heptadecane-1,1,17-triol?
The canonical SMILES for 17-(hydroxyamino)heptadecane-1,1,17-triol is ONC(O)CCCCCCCCCCCCCCCC(O)O.
What is the InChIKey of 17-(hydroxyamino)heptadecane-1,1,17-triol?
The InChIKey is QLEPGCGUPQOJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4/c19-16(18-22)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h16-22H,1-15H2.
What are the key properties of 17-(hydroxyamino)heptadecane-1,1,17-triol?
17-(hydroxyamino)heptadecane-1,1,17-triol has a molecular weight of 319.49 g/mol, XLogP of 3.45, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(hydroxyamino)heptadecane-1,1,17-triol is sourced from PubChem (CID 123788893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).