[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate

C19H34O5 — CID 11359830

IUPAC[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyZAAPYHDKFLKBSV-SJORKVTESA-N
MW342.48 g/mol
LogP3.91
Rot. Bonds14

About [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate

[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate (PubChem CID 11359830) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate.

Molecular Properties

Compound Name[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate
PubChem CID11359830
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO
InChIInChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17+/m1/s1
InChIKeyZAAPYHDKFLKBSV-SJORKVTESA-N
XLogP3.91
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hexadecanoate
CID 67315112
[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate
CID 101185180
[(3S,4S,5S)-4-(5-fluoropentanoyloxy)-5-(hydroxymethyl)oxolan-3-yl] hexanoate
CID 129236024
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
CID 70110092
cyclopropyl decanoate
CID 154321154
[(4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] octanoate
CID 59971088
[(3R,5S)-5-hexanoyloxy-4-hydroxyoxan-3-yl] hexanoate
CID 129219687
[(2R,3R,4S,5S)-5-dodecanoyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] dodecanoate
CID 54277734
[4,6-di(octanoyloxy)-1,3,5-trioxan-2-yl] octanoate
CID 58711194
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
[(2R,3S,5S)-2-(hydroxymethyl)-4,5-bis[[(Z)-octadec-9-enoyl]oxy]oxolan-3-yl] (Z)-octadec-9-enoate
CID 165379544

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate?
The IUPAC name of [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate (CID 11359830) is [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate.
What is the SMILES notation for [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate?
The canonical SMILES for [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO.
What is the InChIKey of [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate?
The InChIKey is ZAAPYHDKFLKBSV-SJORKVTESA-N. The full InChI is InChI=1S/C19H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)23-16-14-19(22)24-17(16)15-20/h16-17,20H,2-15H2,1H3/t16-,17+/m1/s1.
What are the key properties of [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate?
[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate has a molecular weight of 342.48 g/mol, XLogP of 3.91, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate is sourced from PubChem (CID 11359830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).