methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate

C9H14O6 — CID 6421442

IUPACmethyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(O)C(OC)C(OC)O1
InChIInChI=1S/C9H14O6/c1-12-7-5(10)4-6(8(11)13-2)15-9(7)14-3/h4-5,7,9-10H,1-3H3
InChIKeyLDSMGRUAUXNSQP-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.58
Rot. Bonds3

About methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate

methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 6421442) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID6421442
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Namemethyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(O)C(OC)C(OC)O1
InChIInChI=1S/C9H14O6/c1-12-7-5(10)4-6(8(11)13-2)15-9(7)14-3/h4-5,7,9-10H,1-3H3
InChIKeyLDSMGRUAUXNSQP-UHFFFAOYSA-N
XLogP-0.58
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-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

1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid
CID 444552
4-deoxy-Delta(4)-beta-D-GlcpA
CID 445037
4-deoxy-L-threo-hex-4-enopyranuronate
CID 91819971
4-deoxy-L-erythro-hex-4-enopyranuronate
CID 91820026
Enoxaparin-tridesulfate depolymerized 7
CID 169501907
4-Deoxy-D-Mannuronic Acid
CID 446144
2,6-Anhydro-3-deoxy-D-erythro-hex-2-enonic acid
CID 5288331
4,5-Dehydro-L-Iduronic Acid
CID 54688710
(2R,3S)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-6-one
CID 15716555
4-deoxy-beta-L-threo-hex-4-enopyranuronate
CID 53262377
4-deoxy-alpha-L-threo-hex-4-enopyranuronoside
CID 52940133
4-deoxy-6-O-methyl-L-threo-hex-4-enopyranuronate
CID 134820351

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 6421442) is methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(O)C(OC)C(OC)O1.
What is the InChIKey of methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is LDSMGRUAUXNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-12-7-5(10)4-6(8(11)13-2)15-9(7)14-3/h4-5,7,9-10H,1-3H3.
What are the key properties of methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 218.20 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2,3-dimethoxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 6421442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).