(2S,3R)-2-aminoicosane-1,3-diol

C20H43NO2 — CID 11616885

IUPAC(2S,3R)-2-aminoicosane-1,3-diol
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1
InChIKeyUFMHYBVQZSPWSS-VQTJNVASSA-N
MW329.57 g/mol
LogP4.93
Rot. Bonds18

About (2S,3R)-2-aminoicosane-1,3-diol

(2S,3R)-2-aminoicosane-1,3-diol (PubChem CID 11616885) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is (2S,3R)-2-aminoicosane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-aminoicosane-1,3-diol
PubChem CID11616885
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name(2S,3R)-2-aminoicosane-1,3-diol
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1
InChIKeyUFMHYBVQZSPWSS-VQTJNVASSA-N
XLogP4.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-2-aminoicosane-1,3-diol?
The IUPAC name of (2S,3R)-2-aminoicosane-1,3-diol (CID 11616885) is (2S,3R)-2-aminoicosane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-aminoicosane-1,3-diol?
The canonical SMILES for (2S,3R)-2-aminoicosane-1,3-diol is CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-aminoicosane-1,3-diol?
The InChIKey is UFMHYBVQZSPWSS-VQTJNVASSA-N. The full InChI is InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1.
What are the key properties of (2S,3R)-2-aminoicosane-1,3-diol?
(2S,3R)-2-aminoicosane-1,3-diol has a molecular weight of 329.57 g/mol, XLogP of 4.93, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminoicosane-1,3-diol is sourced from PubChem (CID 11616885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).