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

C11H14O8 — CID 70326825

IUPACmethyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1OC(O)=CC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H14O8/c1-5(12)17-7-4-8(14)19-10(11(15)16-3)9(7)18-6(2)13/h4,7,9-10,14H,1-3H3
InChIKeyJUQUOWYQSPCNID-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.18
Rot. Bonds3

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

methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate (PubChem CID 70326825) has the molecular formula C11H14O8 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate
PubChem CID70326825
Molecular FormulaC11H14O8
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Namemethyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate
SMILESCOC(=O)C1OC(O)=CC(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H14O8/c1-5(12)17-7-4-8(14)19-10(11(15)16-3)9(7)18-6(2)13/h4,7,9-10,14H,1-3H3
InChIKeyJUQUOWYQSPCNID-UHFFFAOYSA-N
XLogP-0.18
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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

ST50405664
CID 2734748
(2S,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylic acid
CID 134895176
3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid
CID 70326830
Methyl-3,4-di-O-acetyl-D-glucuronal
CID 71049463
(2S,3S,4R)-4-acetyloxy-3-hydroxy-3,4-dihydro-2H-pyran-2-carboxylic acid
CID 91827759
3,4-Di-O-acetyl-D-glucuronal methyl ester
CID 8030593
methyl (2S,3S,4R)-3,4-bis(methoxymethoxy)-3,4-dihydro-2H-pyran-2-carboxylate
CID 21573089
Methyl 3,4-di-O-acetyl-2,6-anhydro-5-deoxy-L-arabino-hex-5-enonate
CID 71317102
methyl (2S,3R,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 71777459
methyl 3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
CID 77869541

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate (CID 70326825) is methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate is COC(=O)C1OC(O)=CC(OC(C)=O)C1OC(C)=O.
What is the InChIKey of methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate?
The InChIKey is JUQUOWYQSPCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O8/c1-5(12)17-7-4-8(14)19-10(11(15)16-3)9(7)18-6(2)13/h4,7,9-10,14H,1-3H3.
What are the key properties of methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate?
methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate has a molecular weight of 274.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-diacetyloxy-6-hydroxy-3,4-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 70326825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).