(2R,3R)-2,3-diacetyloxybutanedioic acid

C8H10O8 — CID 2060943

IUPAC(2R,3R)-2,3-diacetyloxybutanedioic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@@H](OC(C)=O)C(=O)O
InChIInChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1
InChIKeyDNISEZBAYYIQFB-PHDIDXHHSA-N
MW234.16 g/mol
LogP-0.98
Rot. Bonds5

About (2R,3R)-2,3-diacetyloxybutanedioic acid

(2R,3R)-2,3-diacetyloxybutanedioic acid (PubChem CID 2060943) has the molecular formula C8H10O8 and a molecular weight of 234.16 g/mol. Its IUPAC name is (2R,3R)-2,3-diacetyloxybutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-diacetyloxybutanedioic acid
PubChem CID2060943
Molecular FormulaC8H10O8
Molecular Weight234.16 g/mol
Exact Mass234.04
IUPAC Name(2R,3R)-2,3-diacetyloxybutanedioic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@@H](OC(C)=O)C(=O)O
InChIInChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1
InChIKeyDNISEZBAYYIQFB-PHDIDXHHSA-N
XLogP-0.98
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-2,3-diacetyloxybutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diacetyloxybutanedioic acid?
The IUPAC name of (2R,3R)-2,3-diacetyloxybutanedioic acid (CID 2060943) is (2R,3R)-2,3-diacetyloxybutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-diacetyloxybutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-diacetyloxybutanedioic acid is CC(=O)O[C@@H](C(=O)O)[C@@H](OC(C)=O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-diacetyloxybutanedioic acid?
The InChIKey is DNISEZBAYYIQFB-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10O8/c1-3(9)15-5(7(11)12)6(8(13)14)16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2,3-diacetyloxybutanedioic acid?
(2R,3R)-2,3-diacetyloxybutanedioic acid has a molecular weight of 234.16 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diacetyloxybutanedioic acid is sourced from PubChem (CID 2060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).