methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate

C8H12O6 — CID 6421196

IUPACmethyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(O)C(O)C(OC)O1
InChIInChI=1S/C8H12O6/c1-12-7(11)5-3-4(9)6(10)8(13-2)14-5/h3-4,6,8-10H,1-2H3
InChIKeySMMBUCVIZKOYEX-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.23
Rot. Bonds2

About methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate

methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 6421196) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID6421196
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Namemethyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(O)C(O)C(OC)O1
InChIInChI=1S/C8H12O6/c1-12-7(11)5-3-4(9)6(10)8(13-2)14-5/h3-4,6,8-10H,1-2H3
InChIKeySMMBUCVIZKOYEX-UHFFFAOYSA-N
XLogP-1.23
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 6421196) is methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(O)C(O)C(OC)O1.
What is the InChIKey of methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is SMMBUCVIZKOYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-12-7(11)5-3-4(9)6(10)8(13-2)14-5/h3-4,6,8-10H,1-2H3.
What are the key properties of methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 204.18 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 6421196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).