[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate

C20H34O7 — CID 54278578

IUPAC[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)26-19-17(24)20(25)27-18(19)15(22)14-21/h15,18-19,21-22H,2-14H2,1H3/t15-,18+,19?/m0/s1
InChIKeyRPEHCOOPLNIBRC-APBAKZIRSA-N
MW386.49 g/mol
LogP2.45
Rot. Bonds15

About [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate (PubChem CID 54278578) has the molecular formula C20H34O7 and a molecular weight of 386.49 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate
PubChem CID54278578
Molecular FormulaC20H34O7
Molecular Weight386.49 g/mol
Exact Mass386.23
IUPAC Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)26-19-17(24)20(25)27-18(19)15(22)14-21/h15,18-19,21-22H,2-14H2,1H3/t15-,18+,19?/m0/s1
InChIKeyRPEHCOOPLNIBRC-APBAKZIRSA-N
XLogP2.45
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

D-Glucoheptono-1,4-lactone
CID 108880
Muricatacin
CID 3035657
L-xylo-Hex-2-ulono-1,4-lactone
CID 439966
CID 10016749
CID 10016749
GlyTouCan:G74844RU
CID 9888239
(5R)-5-[(1R)-2-decoxy-1-hydroxyethyl]oxolan-2-one
CID 16092490
Tetradecanoic acid 2-hydroxy-1-(5-oxo-tetrahydro-furan-2-yl)-ethyl ester
CID 44338676
(2S,3R,3aS,6aS)-2-(decoxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580177
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
CID 78942
3,4-Dihydroxy-5-(1,2,3,4-tetrahydroxybutyl)oxolan-2-one
CID 219893
Tetradecanoic acid (S)-2-hydroxy-1-((S)-5-oxo-tetrahydro-furan-2-yl)-ethyl ester
CID 10594456
Tetradecanoic acid (2R,3S)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester
CID 15119070

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate?
The IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate (CID 54278578) is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate.
What is the SMILES notation for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate?
The canonical SMILES for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate?
The InChIKey is RPEHCOOPLNIBRC-APBAKZIRSA-N. The full InChI is InChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)26-19-17(24)20(25)27-18(19)15(22)14-21/h15,18-19,21-22H,2-14H2,1H3/t15-,18+,19?/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate?
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate has a molecular weight of 386.49 g/mol, XLogP of 2.45, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate is sourced from PubChem (CID 54278578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).