methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate

C9H8O8 — CID 135745737

IUPACmethyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate
SMILESCOC(=O)Oc1cc(=O)oc(O)c1C(=O)OC
InChIInChI=1S/C9H8O8/c1-14-7(11)6-4(16-9(13)15-2)3-5(10)17-8(6)12/h3,12H,1-2H3
InChIKeyCCFANYGDKBNQNA-UHFFFAOYSA-N
MW244.15 g/mol
LogP0.28
Rot. Bonds2

About methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate

methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate (PubChem CID 135745737) has the molecular formula C9H8O8 and a molecular weight of 244.15 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate
PubChem CID135745737
Molecular FormulaC9H8O8
Molecular Weight244.15 g/mol
Exact Mass244.02
IUPAC Namemethyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate
SMILESCOC(=O)Oc1cc(=O)oc(O)c1C(=O)OC
InChIInChI=1S/C9H8O8/c1-14-7(11)6-4(16-9(13)15-2)3-5(10)17-8(6)12/h3,12H,1-2H3
InChIKeyCCFANYGDKBNQNA-UHFFFAOYSA-N
XLogP0.28
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
CID 540084
6-Methyl-5-carbomethoxy-4-hydroxy-2-pyrone
CID 54719521
Methyl 4-hydroxy-6-oxo-2-propylpyran-3-carboxylate
CID 134855401
Methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate
CID 139090469
methyl 4-methyl-2-oxo-2H-pyran-6-acetate
CID 21149527
Diethyl 2-ethoxy-6-oxopyran-3,5-dicarboxylate
CID 283480
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, ethyl ester
CID 540037
InChI=1/C9H10O4/c1-5-4-7(12-3)13-9(11)8(5)6(2)10/h4H,1-3H
CID 12742399
Methyl 5-(5-acetyl-6-oxopyran-2-yl)-2-hydroxy-6-oxopyran-3-carboxylate
CID 136852819
5-[(4-Hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 13954421
5-[(E)-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 20650820
2-(4-Methyl-6-oxopyran-2-yl)propanoic acid
CID 53845396

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate (CID 135745737) is methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate is COC(=O)Oc1cc(=O)oc(O)c1C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate?
The InChIKey is CCFANYGDKBNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O8/c1-14-7(11)6-4(16-9(13)15-2)3-5(10)17-8(6)12/h3,12H,1-2H3.
What are the key properties of methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate?
methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate has a molecular weight of 244.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate is sourced from PubChem (CID 135745737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).