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

C20H44ClNO — CID 158390492

IUPAC[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+].[Cl-]
InChIInChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19(2)21;/h19-20,22H,3-18,21H2,1-2H3;1H/t19-,20+;/m0./s1
InChIKeyWTBBWNYCZKVGTB-CMXBXVFLSA-N
MW350.03 g/mol
LogP2.24
Rot. Bonds17

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

[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride (PubChem CID 158390492) has the molecular formula C20H44ClNO and a molecular weight of 350.03 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
PubChem CID158390492
Molecular FormulaC20H44ClNO
Molecular Weight350.03 g/mol
Exact Mass349.31
IUPAC Name[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+].[Cl-]
InChIInChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19(2)21;/h19-20,22H,3-18,21H2,1-2H3;1H/t19-,20+;/m0./s1
InChIKeyWTBBWNYCZKVGTB-CMXBXVFLSA-N
XLogP2.24
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R)-3-hydroxynonadecan-2-yl]azanium
CID 58743334
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
heptadecane-2,5,6-triol
CID 90443080
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
tridecane-2,3,4-triol
CID 90443062
icosane-2,5,6-triol
CID 90443113

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride?
The IUPAC name of [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride (CID 158390492) is [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride.
What is the SMILES notation for [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride?
The canonical SMILES for [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride is CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+].[Cl-].
What is the InChIKey of [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride?
The InChIKey is WTBBWNYCZKVGTB-CMXBXVFLSA-N. The full InChI is InChI=1S/C20H43NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19(2)21;/h19-20,22H,3-18,21H2,1-2H3;1H/t19-,20+;/m0./s1.
What are the key properties of [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride?
[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride has a molecular weight of 350.03 g/mol, XLogP of 2.24, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride is sourced from PubChem (CID 158390492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).