diethyl (2R,3R)-2,3-dihydroxybutanedioate

C8H14O6 — CID 6993580

IUPACdiethyl (2R,3R)-2,3-dihydroxybutanedioate
SMILESCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyYSAVZVORKRDODB-PHDIDXHHSA-N
MW206.19 g/mol
LogP-1.17
Rot. Bonds5

About diethyl (2R,3R)-2,3-dihydroxybutanedioate

diethyl (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 6993580) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is diethyl (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namediethyl (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID6993580
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Namediethyl (2R,3R)-2,3-dihydroxybutanedioate
SMILESCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyYSAVZVORKRDODB-PHDIDXHHSA-N
XLogP-1.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of diethyl (2R,3R)-2,3-dihydroxybutanedioate (CID 6993580) is diethyl (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for diethyl (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for diethyl (2R,3R)-2,3-dihydroxybutanedioate is CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is YSAVZVORKRDODB-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of diethyl (2R,3R)-2,3-dihydroxybutanedioate?
diethyl (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 206.19 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 6993580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).