[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate

C20H38O7 — CID 11143640

IUPAC[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@H]1OC(OCC)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H38O7/c1-3-5-6-7-8-9-10-11-12-13-16(21)26-14-15-17(22)18(23)19(24)20(27-15)25-4-2/h15,17-20,22-24H,3-14H2,1-2H3/t15-,17-,18+,19-,20?/m1/s1
InChIKeyWEZXKKHKDWFRHC-FIBJEGPVSA-N
MW390.52 g/mol
LogP2.29
Rot. Bonds14

About [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate

[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate (PubChem CID 11143640) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate
PubChem CID11143640
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@H]1OC(OCC)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H38O7/c1-3-5-6-7-8-9-10-11-12-13-16(21)26-14-15-17(22)18(23)19(24)20(27-15)25-4-2/h15,17-20,22-24H,3-14H2,1-2H3/t15-,17-,18+,19-,20?/m1/s1
InChIKeyWEZXKKHKDWFRHC-FIBJEGPVSA-N
XLogP2.29
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate?
The IUPAC name of [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate (CID 11143640) is [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate.
What is the SMILES notation for [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate?
The canonical SMILES for [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate is CCCCCCCCCCCC(=O)OC[C@H]1OC(OCC)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate?
The InChIKey is WEZXKKHKDWFRHC-FIBJEGPVSA-N. The full InChI is InChI=1S/C20H38O7/c1-3-5-6-7-8-9-10-11-12-13-16(21)26-14-15-17(22)18(23)19(24)20(27-15)25-4-2/h15,17-20,22-24H,3-14H2,1-2H3/t15-,17-,18+,19-,20?/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate?
[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate has a molecular weight of 390.52 g/mol, XLogP of 2.29, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate is sourced from PubChem (CID 11143640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).