dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate

C14H20O10 — CID 102425853

IUPACdimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate
SMILESCOC(=O)[C@H]1O[C@@](OC)(C(=O)OC)C[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O10/c1-7(15)22-9-6-14(21-5,13(18)20-4)24-11(12(17)19-3)10(9)23-8(2)16/h9-11H,6H2,1-5H3/t9-,10-,11-,14+/m0/s1
InChIKeyYZOMCUOQFFDIOP-AYGWYOGXSA-N
MW348.30 g/mol
LogP-0.67
Rot. Bonds5

About dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate

dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate (PubChem CID 102425853) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate
PubChem CID102425853
Molecular FormulaC14H20O10
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Namedimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate
SMILESCOC(=O)[C@H]1O[C@@](OC)(C(=O)OC)C[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H20O10/c1-7(15)22-9-6-14(21-5,13(18)20-4)24-11(12(17)19-3)10(9)23-8(2)16/h9-11H,6H2,1-5H3/t9-,10-,11-,14+/m0/s1
InChIKeyYZOMCUOQFFDIOP-AYGWYOGXSA-N
XLogP-0.67
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate?
The IUPAC name of dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate (CID 102425853) is dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate is COC(=O)[C@H]1O[C@@](OC)(C(=O)OC)C[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate?
The InChIKey is YZOMCUOQFFDIOP-AYGWYOGXSA-N. The full InChI is InChI=1S/C14H20O10/c1-7(15)22-9-6-14(21-5,13(18)20-4)24-11(12(17)19-3)10(9)23-8(2)16/h9-11H,6H2,1-5H3/t9-,10-,11-,14+/m0/s1.
What are the key properties of dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate?
dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate has a molecular weight of 348.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S,5S,6S)-4,5-diacetyloxy-2-methoxyoxane-2,6-dicarboxylate is sourced from PubChem (CID 102425853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).