[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate

C34H64O7 — CID 101185180

IUPAC[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC)O[C@H](CO)[C@H]1OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H64O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(36)40-32-29(28-35)39-34(38-3)33(32)41-31(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h29,32-35H,4-28H2,1-3H3/t29-,32-,33-,34-/m1/s1
InChIKeyXMEZTDKZXUIVJQ-HHAIGBBTSA-N
MW584.88 g/mol
LogP8.58
Rot. Bonds28

About [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate

[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate (PubChem CID 101185180) has the molecular formula C34H64O7 and a molecular weight of 584.88 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate
PubChem CID101185180
Molecular FormulaC34H64O7
Molecular Weight584.88 g/mol
Exact Mass584.47
IUPAC Name[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC)O[C@H](CO)[C@H]1OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H64O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(36)40-32-29(28-35)39-34(38-3)33(32)41-31(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h29,32-35H,4-28H2,1-3H3/t29-,32-,33-,34-/m1/s1
InChIKeyXMEZTDKZXUIVJQ-HHAIGBBTSA-N
XLogP8.58
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.88
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate 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

[(2R,3R,4S,5S)-5-dodecanoyloxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] dodecanoate
CID 54277734
[(2R,3S,5S)-2-(hydroxymethyl)-4,5-bis[[(Z)-octadec-9-enoyl]oxy]oxolan-3-yl] (Z)-octadec-9-enoate
CID 165379544
[(2R,3R,4S,5R,6S)-3,4,5-tri(hexanoyloxy)-6-methoxyoxan-2-yl]methyl hexanoate
CID 2795279
[(2R,3S,4S,5R)-5-decanoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl decanoate
CID 18650864
[(2R,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate
CID 177385970
[(2R,3R,4S,5S,6R)-3-acetyloxy-5-decanoyloxy-2-(hydroxymethyl)-6-[(2R,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] decanoate
CID 177439340
[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-di(hexadecanoyloxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-di(hexadecanoyloxy)-2-(hydroxymethyl)oxan-3-yl] hexadecanoate
CID 139596709
[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-4,5-di(octadecanoyloxy)oxan-3-yl] octadecanoate
CID 91884747
[(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methoxy-5-tetradecanoyloxyoxan-4-yl] tetradecanoate
CID 139878339
[(2S,3R,4R,5R,6R)-2-methoxy-5-sulfooxy-6-(sulfooxymethyl)-3-tetradecanoyloxyoxan-4-yl] tetradecanoate
CID 139889189
[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] hexadecanoate
CID 67315112
[(1R,2R,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] icosanoate
CID 11377187

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate?
The IUPAC name of [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate (CID 101185180) is [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate.
What is the SMILES notation for [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate?
The canonical SMILES for [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate is CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](OC)O[C@H](CO)[C@H]1OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate?
The InChIKey is XMEZTDKZXUIVJQ-HHAIGBBTSA-N. The full InChI is InChI=1S/C34H64O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(36)40-32-29(28-35)39-34(38-3)33(32)41-31(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h29,32-35H,4-28H2,1-3H3/t29-,32-,33-,34-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate?
[(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate has a molecular weight of 584.88 g/mol, XLogP of 8.58, 28 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2-(hydroxymethyl)-5-methoxy-4-tetradecanoyloxyoxolan-3-yl] tetradecanoate is sourced from PubChem (CID 101185180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).