2-azidooctadecane-1,3,4-triol

C18H37N3O3 — CID 14017259

IUPAC2-azidooctadecane-1,3,4-triol
SMILESCCCCCCCCCCCCCCC(O)C(O)C(CO)N=[N+]=[N-]
InChIInChI=1S/C18H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(23)18(24)16(15-22)20-21-19/h16-18,22-24H,2-15H2,1H3
InChIKeyMUTDVCKHIMUXFS-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.47
Rot. Bonds17

About 2-azidooctadecane-1,3,4-triol

2-azidooctadecane-1,3,4-triol (PubChem CID 14017259) has the molecular formula C18H37N3O3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-azidooctadecane-1,3,4-triol.

Molecular Properties

Compound Name2-azidooctadecane-1,3,4-triol
PubChem CID14017259
Molecular FormulaC18H37N3O3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name2-azidooctadecane-1,3,4-triol
SMILESCCCCCCCCCCCCCCC(O)C(O)C(CO)N=[N+]=[N-]
InChIInChI=1S/C18H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(23)18(24)16(15-22)20-21-19/h16-18,22-24H,2-15H2,1H3
InChIKeyMUTDVCKHIMUXFS-UHFFFAOYSA-N
XLogP4.47
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
6,7-diazidododecane
CID 122603304
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
2-aminodocosane-1,3,4-triol
CID 73238284
(2R,3S)-2-aminooctadecane-1,3,4-triol
CID 123143330
(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
CID 163003966
nonacosane-14,15-diol
CID 91509633
tridecane-2,3,4-triol
CID 90443062
2-methyldodecane-3,4-diol
CID 103456553

Frequently Asked Questions

What is the IUPAC name of 2-azidooctadecane-1,3,4-triol?
The IUPAC name of 2-azidooctadecane-1,3,4-triol (CID 14017259) is 2-azidooctadecane-1,3,4-triol.
What is the SMILES notation for 2-azidooctadecane-1,3,4-triol?
The canonical SMILES for 2-azidooctadecane-1,3,4-triol is CCCCCCCCCCCCCCC(O)C(O)C(CO)N=[N+]=[N-].
What is the InChIKey of 2-azidooctadecane-1,3,4-triol?
The InChIKey is MUTDVCKHIMUXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(23)18(24)16(15-22)20-21-19/h16-18,22-24H,2-15H2,1H3.
What are the key properties of 2-azidooctadecane-1,3,4-triol?
2-azidooctadecane-1,3,4-triol has a molecular weight of 343.51 g/mol, XLogP of 4.47, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidooctadecane-1,3,4-triol is sourced from PubChem (CID 14017259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).