methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate

C9H12O6 — CID 102207215

IUPACmethyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate
SMILES[2H][C@@H](C(=O)OC)[C@@]1(C(=O)OC)CCC(=O)O1
InChIInChI=1S/C9H12O6/c1-13-7(11)5-9(8(12)14-2)4-3-6(10)15-9/h3-5H2,1-2H3/t9-/m1/s1/i5D/t5-,9+/m0
InChIKeyAQZGCSUPUWOQOH-YIHIJVJJSA-N
MW217.20 g/mol
LogP-0.20
Rot. Bonds3

About methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate

methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate (PubChem CID 102207215) has the molecular formula C9H12O6 and a molecular weight of 217.20 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate
PubChem CID102207215
Molecular FormulaC9H12O6
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Namemethyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate
SMILES[2H][C@@H](C(=O)OC)[C@@]1(C(=O)OC)CCC(=O)O1
InChIInChI=1S/C9H12O6/c1-13-7(11)5-9(8(12)14-2)4-3-6(10)15-9/h3-5H2,1-2H3/t9-/m1/s1/i5D/t5-,9+/m0
InChIKeyAQZGCSUPUWOQOH-YIHIJVJJSA-N
XLogP-0.20
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate?
The IUPAC name of methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate (CID 102207215) is methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate is [2H][C@@H](C(=O)OC)[C@@]1(C(=O)OC)CCC(=O)O1.
What is the InChIKey of methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate?
The InChIKey is AQZGCSUPUWOQOH-YIHIJVJJSA-N. The full InChI is InChI=1S/C9H12O6/c1-13-7(11)5-9(8(12)14-2)4-3-6(10)15-9/h3-5H2,1-2H3/t9-/m1/s1/i5D/t5-,9+/m0.
What are the key properties of methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate?
methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate has a molecular weight of 217.20 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-1-deuterio-2-methoxy-2-oxoethyl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 102207215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).