(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid

C6H10O6 — CID 12533305

IUPAC(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid
SMILESC[C@](O)(C(=O)O)[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)/t5-,6-/m0/s1
InChIKeyCPLWWXZZFYHPJY-WDSKDSINSA-N
MW178.14 g/mol
LogP-1.34
Rot. Bonds3

About (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid

(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid (PubChem CID 12533305) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid
PubChem CID12533305
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid
SMILESC[C@](O)(C(=O)O)[C@@](C)(O)C(=O)O
InChIInChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)/t5-,6-/m0/s1
InChIKeyCPLWWXZZFYHPJY-WDSKDSINSA-N
XLogP-1.34
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid?
The IUPAC name of (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid (CID 12533305) is (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid is C[C@](O)(C(=O)O)[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid?
The InChIKey is CPLWWXZZFYHPJY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)/t5-,6-/m0/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid?
(2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid has a molecular weight of 178.14 g/mol, XLogP of -1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-2,3-dimethylbutanedioic acid is sourced from PubChem (CID 12533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).