(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate

C6H8O5-2 — CID 21145051

IUPAC(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate
SMILESC[C@H](C(=O)[O-])[C@@](C)(O)C(=O)[O-]
InChIInChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/p-2/t3-,6-/m1/s1
InChIKeyWTIIULQJLZEHGZ-AWFVSMACSA-L
MW160.12 g/mol
LogP-3.13
Rot. Bonds3

About (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate

(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate (PubChem CID 21145051) has the molecular formula C6H8O5-2 and a molecular weight of 160.12 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate
PubChem CID21145051
Molecular FormulaC6H8O5-2
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate
SMILESC[C@H](C(=O)[O-])[C@@](C)(O)C(=O)[O-]
InChIInChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/p-2/t3-,6-/m1/s1
InChIKeyWTIIULQJLZEHGZ-AWFVSMACSA-L
XLogP-3.13
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-3.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate?
The IUPAC name of (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate (CID 21145051) is (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate.
What is the SMILES notation for (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate?
The canonical SMILES for (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate is C[C@H](C(=O)[O-])[C@@](C)(O)C(=O)[O-].
What is the InChIKey of (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate?
The InChIKey is WTIIULQJLZEHGZ-AWFVSMACSA-L. The full InChI is InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/p-2/t3-,6-/m1/s1.
What are the key properties of (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate?
(2R,3S)-2-hydroxy-2,3-dimethylbutanedioate has a molecular weight of 160.12 g/mol, XLogP of -3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-2,3-dimethylbutanedioate is sourced from PubChem (CID 21145051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).