methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate

C10H16O6 — CID 123286313

IUPACmethyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(OC)C[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-5-10(14-3)16-7(8)4-9(12)13-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1
InChIKeyACBHSEJEXXLWNC-HHCGNCNQSA-N
MW232.23 g/mol
LogP0.24
Rot. Bonds4

About methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate

methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate (PubChem CID 123286313) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate
PubChem CID123286313
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namemethyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(OC)C[C@@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-5-10(14-3)16-7(8)4-9(12)13-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1
InChIKeyACBHSEJEXXLWNC-HHCGNCNQSA-N
XLogP0.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate (CID 123286313) is methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate is COC(=O)C[C@H]1OC(OC)C[C@@H]1OC(C)=O.
What is the InChIKey of methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate?
The InChIKey is ACBHSEJEXXLWNC-HHCGNCNQSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)15-8-5-10(14-3)16-7(8)4-9(12)13-2/h7-8,10H,4-5H2,1-3H3/t7-,8+,10?/m1/s1.
What are the key properties of methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate?
methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate has a molecular weight of 232.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate is sourced from PubChem (CID 123286313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).