ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate

C15H22O9 — CID 10521493

IUPACethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C15H22O9/c1-5-20-13(19)6-11-12(7-21-8(2)16)24-15(23-10(4)18)14(11)22-9(3)17/h11-12,14-15H,5-7H2,1-4H3/t11-,12-,14-,15?/m1/s1
InChIKeyVNYSCEBOBQSXJV-TVAMOIRASA-N
MW346.33 g/mol
LogP0.34
Rot. Bonds7

About ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate

ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate (PubChem CID 10521493) has the molecular formula C15H22O9 and a molecular weight of 346.33 g/mol. Its IUPAC name is ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate
PubChem CID10521493
Molecular FormulaC15H22O9
Molecular Weight346.33 g/mol
Exact Mass346.13
IUPAC Nameethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C15H22O9/c1-5-20-13(19)6-11-12(7-21-8(2)16)24-15(23-10(4)18)14(11)22-9(3)17/h11-12,14-15H,5-7H2,1-4H3/t11-,12-,14-,15?/m1/s1
InChIKeyVNYSCEBOBQSXJV-TVAMOIRASA-N
XLogP0.34
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate with MolForge

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Related Compounds

[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(2R,3S,4R,5R)-4,5,6-triacetyloxy-3-methyloxan-2-yl]methyl acetate
CID 158494723
[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate
CID 101274323
ethyl 3-[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]propanoate
CID 139805859
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate?
The IUPAC name of ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate (CID 10521493) is ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate is CCOC(=O)C[C@@H]1[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate?
The InChIKey is VNYSCEBOBQSXJV-TVAMOIRASA-N. The full InChI is InChI=1S/C15H22O9/c1-5-20-13(19)6-11-12(7-21-8(2)16)24-15(23-10(4)18)14(11)22-9(3)17/h11-12,14-15H,5-7H2,1-4H3/t11-,12-,14-,15?/m1/s1.
What are the key properties of ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate?
ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate has a molecular weight of 346.33 g/mol, XLogP of 0.34, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3R,4R)-4,5-diacetyloxy-2-(acetyloxymethyl)oxolan-3-yl]acetate is sourced from PubChem (CID 10521493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).