[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate

C14H16O10 — CID 15825769

IUPAC[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@H]1OC(=O)C(OC(C)=O)=C1OC(C)=O
InChIInChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3/t10-,11+/m0/s1
InChIKeyANCAOTMXBIZJPA-WDEREUQCSA-N
MW344.27 g/mol
LogP-0.26
Rot. Bonds6

About [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate

[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate (PubChem CID 15825769) has the molecular formula C14H16O10 and a molecular weight of 344.27 g/mol. Its IUPAC name is [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate
PubChem CID15825769
Molecular FormulaC14H16O10
Molecular Weight344.27 g/mol
Exact Mass344.07
IUPAC Name[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)[C@H]1OC(=O)C(OC(C)=O)=C1OC(C)=O
InChIInChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3/t10-,11+/m0/s1
InChIKeyANCAOTMXBIZJPA-WDEREUQCSA-N
XLogP-0.26
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-oxo-4-tetradecanoyloxy-3-tridecanoyloxy-2H-furan-2-yl)-2-tetradecanoyloxyethyl] tetradecanoate
CID 11423249
[(2R)-2-[(2R)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2H-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate
CID 56845907
[2-hydroxy-2-(3-hydroxy-4-methoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54732327
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-(2,3-dihydroxypropanoyloxy)-5-oxo-2H-furan-3-yl] 2,3-dihydroxypropanoate
CID 141231104
[(4R,5R)-5-[(1R)-1,2-diacetyloxyethyl]-2-phenyl-1,3-dioxolan-4-yl]methyl acetate
CID 23250979
[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate
CID 170252905
[2-(3-hydroxy-5-oxo-4-phosphonooxy-2H-furan-2-yl)-2-propanoyloxyethyl] 4-oxopentanoate
CID 59630926
[4-aminooxy-2-(1,2-dihydroxyethyl)-5-oxo-2H-furan-3-yl] 2-oxopropanoate
CID 143021421
[(2R)-4-acetyloxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-3-yl]oxymethyl acetate
CID 132565115
[(2R)-2-acetyloxy-2-[(2R,3S,4R,5Z)-3,4-diacetyloxy-5-(bromomethylidene)oxolan-2-yl]ethyl] acetate
CID 101202873
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
[2-acetyloxy-2-(3,4-diacetyloxy-5-hydroxyoxolan-2-yl)ethyl] acetate
CID 85216119

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate?
The IUPAC name of [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate (CID 15825769) is [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate?
The canonical SMILES for [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate is CC(=O)OC[C@H](OC(C)=O)[C@H]1OC(=O)C(OC(C)=O)=C1OC(C)=O.
What is the InChIKey of [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate?
The InChIKey is ANCAOTMXBIZJPA-WDEREUQCSA-N. The full InChI is InChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate?
[(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate has a molecular weight of 344.27 g/mol, XLogP of -0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-acetyloxy-2-[(2R)-3,4-diacetyloxy-5-oxo-2H-furan-2-yl]ethyl] acetate is sourced from PubChem (CID 15825769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).