(2S,3S)-2-amino-17-methyloctadecane-1,3-diol

C19H41NO2 — CID 24740674

IUPAC(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
SMILESCC(C)CCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C19H41NO2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(22)18(20)16-21/h17-19,21-22H,3-16,20H2,1-2H3/t18-,19-/m0/s1
InChIKeyLVFJDXPLLXORPU-OALUTQOASA-N
MW315.54 g/mol
LogP4.39
Rot. Bonds16

About (2S,3S)-2-amino-17-methyloctadecane-1,3-diol

(2S,3S)-2-amino-17-methyloctadecane-1,3-diol (PubChem CID 24740674) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is (2S,3S)-2-amino-17-methyloctadecane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
PubChem CID24740674
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name(2S,3S)-2-amino-17-methyloctadecane-1,3-diol
SMILESCC(C)CCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
InChIInChI=1S/C19H41NO2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(22)18(20)16-21/h17-19,21-22H,3-16,20H2,1-2H3/t18-,19-/m0/s1
InChIKeyLVFJDXPLLXORPU-OALUTQOASA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 54.39
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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Related Compounds

(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S,3S)-2-aminooctadecane-1,3-diol;2-hydroxypropanoic acid
CID 87593311
(E,2S,3R)-2-amino-15-methylhexadec-4-ene-1,3-diol
CID 42608345
(2S)-24-methylpentacosane-1,2-diol
CID 162845743
2-aminodocosane-1,3,4-triol
CID 73238284
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
4-amino-2-methylundecan-5-ol
CID 72805371
(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
CID 163003966
(2R,3S)-2-aminooctadecane-1,3,4-triol
CID 123143330
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-17-methyloctadecane-1,3-diol?
The IUPAC name of (2S,3S)-2-amino-17-methyloctadecane-1,3-diol (CID 24740674) is (2S,3S)-2-amino-17-methyloctadecane-1,3-diol.
What is the SMILES notation for (2S,3S)-2-amino-17-methyloctadecane-1,3-diol?
The canonical SMILES for (2S,3S)-2-amino-17-methyloctadecane-1,3-diol is CC(C)CCCCCCCCCCCCC[C@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3S)-2-amino-17-methyloctadecane-1,3-diol?
The InChIKey is LVFJDXPLLXORPU-OALUTQOASA-N. The full InChI is InChI=1S/C19H41NO2/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-19(22)18(20)16-21/h17-19,21-22H,3-16,20H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (2S,3S)-2-amino-17-methyloctadecane-1,3-diol?
(2S,3S)-2-amino-17-methyloctadecane-1,3-diol has a molecular weight of 315.54 g/mol, XLogP of 4.39, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-17-methyloctadecane-1,3-diol is sourced from PubChem (CID 24740674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).