[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium

C18H40NO+ — CID 58743267

IUPAC[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+]
InChIInChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1
InChIKeyYRYJJIXWWQLGGV-ZWKOTPCHSA-O
MW286.52 g/mol
LogP4.46
Rot. Bonds15

About [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium

[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium (PubChem CID 58743267) has the molecular formula C18H40NO+ and a molecular weight of 286.52 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium
PubChem CID58743267
Molecular FormulaC18H40NO+
Molecular Weight286.52 g/mol
Exact Mass286.31
IUPAC Name[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+]
InChIInChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1
InChIKeyYRYJJIXWWQLGGV-ZWKOTPCHSA-O
XLogP4.46
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium?
The IUPAC name of [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium (CID 58743267) is [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium.
What is the SMILES notation for [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium?
The canonical SMILES for [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium is CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+].
What is the InChIKey of [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium?
The InChIKey is YRYJJIXWWQLGGV-ZWKOTPCHSA-O. The full InChI is InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1.
What are the key properties of [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium?
[(2S,3R)-3-hydroxyoctadecan-2-yl]azanium has a molecular weight of 286.52 g/mol, XLogP of 4.46, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium is sourced from PubChem (CID 58743267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).