2-deuteriooxy-3-hydroxybutanedioic acid

C4H6O6 — CID 90696293

IUPAC2-deuteriooxy-3-hydroxybutanedioic acid
SMILES[2H]OC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/i5D
InChIKeyFEWJPZIEWOKRBE-UICOGKGYSA-N
MW151.09 g/mol
LogP-2.12
Rot. Bonds4

About 2-deuteriooxy-3-hydroxybutanedioic acid

2-deuteriooxy-3-hydroxybutanedioic acid (PubChem CID 90696293) has the molecular formula C4H6O6 and a molecular weight of 151.09 g/mol. Its IUPAC name is 2-deuteriooxy-3-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-deuteriooxy-3-hydroxybutanedioic acid
PubChem CID90696293
Molecular FormulaC4H6O6
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name2-deuteriooxy-3-hydroxybutanedioic acid
SMILES[2H]OC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/i5D
InChIKeyFEWJPZIEWOKRBE-UICOGKGYSA-N
XLogP-2.12
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriooxy-3-hydroxybutanedioic acid?
The IUPAC name of 2-deuteriooxy-3-hydroxybutanedioic acid (CID 90696293) is 2-deuteriooxy-3-hydroxybutanedioic acid.
What is the SMILES notation for 2-deuteriooxy-3-hydroxybutanedioic acid?
The canonical SMILES for 2-deuteriooxy-3-hydroxybutanedioic acid is [2H]OC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 2-deuteriooxy-3-hydroxybutanedioic acid?
The InChIKey is FEWJPZIEWOKRBE-UICOGKGYSA-N. The full InChI is InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/i5D.
What are the key properties of 2-deuteriooxy-3-hydroxybutanedioic acid?
2-deuteriooxy-3-hydroxybutanedioic acid has a molecular weight of 151.09 g/mol, XLogP of -2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriooxy-3-hydroxybutanedioic acid is sourced from PubChem (CID 90696293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).