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

C19H42NO+ — CID 58743334

IUPAC[(2S,3R)-3-hydroxynonadecan-2-yl]azanium
SMILESCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+]
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18(2)20/h18-19,21H,3-17,20H2,1-2H3/p+1/t18-,19+/m0/s1
InChIKeyUJYQLGQRZHVYGT-RBUKOAKNSA-O
MW300.55 g/mol
LogP4.85
Rot. Bonds16

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

[(2S,3R)-3-hydroxynonadecan-2-yl]azanium (PubChem CID 58743334) has the molecular formula C19H42NO+ and a molecular weight of 300.55 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxynonadecan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxynonadecan-2-yl]azanium
PubChem CID58743334
Molecular FormulaC19H42NO+
Molecular Weight300.55 g/mol
Exact Mass300.33
IUPAC Name[(2S,3R)-3-hydroxynonadecan-2-yl]azanium
SMILESCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+]
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18(2)20/h18-19,21H,3-17,20H2,1-2H3/p+1/t18-,19+/m0/s1
InChIKeyUJYQLGQRZHVYGT-RBUKOAKNSA-O
XLogP4.85
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 54.85
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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Related Compounds

[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
CID 158390492
nonacosane-14,15-diol
CID 91509633
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
7-methylhexadecan-8-ol
CID 122652609
16-methylheptadecane-7,8-diol
CID 118508542
8-methyltetradecan-7-ol
CID 88908615
pentadecane-4,5-diol
CID 103454846
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
heptadecane-2,5,6-triol
CID 90443080
icosane-2,5,6-triol
CID 90443113
tridecane-2,3,4-triol
CID 90443062

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxynonadecan-2-yl]azanium?
The IUPAC name of [(2S,3R)-3-hydroxynonadecan-2-yl]azanium (CID 58743334) is [(2S,3R)-3-hydroxynonadecan-2-yl]azanium.
What is the SMILES notation for [(2S,3R)-3-hydroxynonadecan-2-yl]azanium?
The canonical SMILES for [(2S,3R)-3-hydroxynonadecan-2-yl]azanium is CCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+].
What is the InChIKey of [(2S,3R)-3-hydroxynonadecan-2-yl]azanium?
The InChIKey is UJYQLGQRZHVYGT-RBUKOAKNSA-O. The full InChI is InChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18(2)20/h18-19,21H,3-17,20H2,1-2H3/p+1/t18-,19+/m0/s1.
What are the key properties of [(2S,3R)-3-hydroxynonadecan-2-yl]azanium?
[(2S,3R)-3-hydroxynonadecan-2-yl]azanium has a molecular weight of 300.55 g/mol, XLogP of 4.85, 16 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxynonadecan-2-yl]azanium is sourced from PubChem (CID 58743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).