ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate

C10H16O7 — CID 10106043

IUPACethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate
SMILESCCOC(=O)C1OCC(O)C(O)C1OC(C)=O
InChIInChI=1S/C10H16O7/c1-3-15-10(14)9-8(17-5(2)11)7(13)6(12)4-16-9/h6-9,12-13H,3-4H2,1-2H3
InChIKeyXSMRYIAZMDEVLN-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.40
Rot. Bonds3

About ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate

ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate (PubChem CID 10106043) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate
PubChem CID10106043
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Nameethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate
SMILESCCOC(=O)C1OCC(O)C(O)C1OC(C)=O
InChIInChI=1S/C10H16O7/c1-3-15-10(14)9-8(17-5(2)11)7(13)6(12)4-16-9/h6-9,12-13H,3-4H2,1-2H3
InChIKeyXSMRYIAZMDEVLN-UHFFFAOYSA-N
XLogP-1.40
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate?
The IUPAC name of ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate (CID 10106043) is ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate.
What is the SMILES notation for ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate?
The canonical SMILES for ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate is CCOC(=O)C1OCC(O)C(O)C1OC(C)=O.
What is the InChIKey of ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate?
The InChIKey is XSMRYIAZMDEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7/c1-3-15-10(14)9-8(17-5(2)11)7(13)6(12)4-16-9/h6-9,12-13H,3-4H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate?
ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate has a molecular weight of 248.23 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-4,5-dihydroxyoxane-2-carboxylate is sourced from PubChem (CID 10106043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).