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

C14H18O10 — CID 14101693

IUPAC[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1OC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H18O10/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/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyDDWMFFZVZXMXCS-FVCCEPFGSA-N
MW346.29 g/mol
LogP-0.73
Rot. Bonds6

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

[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate (PubChem CID 14101693) has the molecular formula C14H18O10 and a molecular weight of 346.29 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate
PubChem CID14101693
Molecular FormulaC14H18O10
Molecular Weight346.29 g/mol
Exact Mass346.09
IUPAC Name[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1OC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H18O10/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/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyDDWMFFZVZXMXCS-FVCCEPFGSA-N
XLogP-0.73
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 5-0.73
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate (CID 14101693) is [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@H]1OC(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate?
The InChIKey is DDWMFFZVZXMXCS-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H18O10/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/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate has a molecular weight of 346.29 g/mol, XLogP of -0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-oxooxolan-2-yl]ethyl] acetate is sourced from PubChem (CID 14101693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).