[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate

C15H22O10 — CID 23392832

IUPAC[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OC[C@H]1OC=C[C@@H](OC(=O)COC)[C@@H]1OC(=O)COC
InChIInChI=1S/C15H22O10/c1-19-7-12(16)23-6-11-15(25-14(18)9-21-3)10(4-5-22-11)24-13(17)8-20-2/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,15+/m1/s1
InChIKeyOCAUPNQGXYNYEE-HFAKWTLXSA-N
MW362.33 g/mol
LogP-0.80
Rot. Bonds10

About [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate

[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate (PubChem CID 23392832) has the molecular formula C15H22O10 and a molecular weight of 362.33 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate
PubChem CID23392832
Molecular FormulaC15H22O10
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OC[C@H]1OC=C[C@@H](OC(=O)COC)[C@@H]1OC(=O)COC
InChIInChI=1S/C15H22O10/c1-19-7-12(16)23-6-11-15(25-14(18)9-21-3)10(4-5-22-11)24-13(17)8-20-2/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,15+/m1/s1
InChIKeyOCAUPNQGXYNYEE-HFAKWTLXSA-N
XLogP-0.80
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 5-0.80
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,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate?
The IUPAC name of [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate (CID 23392832) is [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate.
What is the SMILES notation for [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate?
The canonical SMILES for [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate is COCC(=O)OC[C@H]1OC=C[C@@H](OC(=O)COC)[C@@H]1OC(=O)COC.
What is the InChIKey of [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate?
The InChIKey is OCAUPNQGXYNYEE-HFAKWTLXSA-N. The full InChI is InChI=1S/C15H22O10/c1-19-7-12(16)23-6-11-15(25-14(18)9-21-3)10(4-5-22-11)24-13(17)8-20-2/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,15+/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate?
[(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate has a molecular weight of 362.33 g/mol, XLogP of -0.80, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4-bis[(2-methoxyacetyl)oxy]-3,4-dihydro-2H-pyran-2-yl]methyl 2-methoxyacetate is sourced from PubChem (CID 23392832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).