dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate

C4H6O6 — CID 176729142

IUPACdideuterio (2R,3R)-2,3-dideuteriooxybutanedioate
SMILES[2H]OC(=O)[C@H](O[2H])[C@@H](O[2H])C(=O)O[2H]
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1/i5D,6D/hD2
InChIKeyFEWJPZIEWOKRBE-BJNNWTDASA-N
MW154.11 g/mol
LogP-2.12
Rot. Bonds5

About dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate

dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate (PubChem CID 176729142) has the molecular formula C4H6O6 and a molecular weight of 154.11 g/mol. Its IUPAC name is dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate.

Molecular Properties

Compound Namedideuterio (2R,3R)-2,3-dideuteriooxybutanedioate
PubChem CID176729142
Molecular FormulaC4H6O6
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Namedideuterio (2R,3R)-2,3-dideuteriooxybutanedioate
SMILES[2H]OC(=O)[C@H](O[2H])[C@@H](O[2H])C(=O)O[2H]
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1/i5D,6D/hD2
InChIKeyFEWJPZIEWOKRBE-BJNNWTDASA-N
XLogP-2.12
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-deuteriooxy-3-hydroxybutanedioic acid
CID 90696293
deuterio 2-chloro-3-methylpentanoate
CID 139808655
2-deuteriooxycarbonyl-6-(diethylamino)hexanoic acid
CID 175833468
2-amino-3-deuteriobutanedioic acid
CID 119075971
deuterio (2S)-2-amino-3-deuterio-4-methylsulfanylbutanoate
CID 175936457
(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid
CID 175703900
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786

Frequently Asked Questions

What is the IUPAC name of dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate?
The IUPAC name of dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate (CID 176729142) is dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate.
What is the SMILES notation for dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate?
The canonical SMILES for dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate is [2H]OC(=O)[C@H](O[2H])[C@@H](O[2H])C(=O)O[2H].
What is the InChIKey of dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate?
The InChIKey is FEWJPZIEWOKRBE-BJNNWTDASA-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)/t1-,2-/m1/s1/i5D,6D/hD2.
What are the key properties of dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate?
dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate has a molecular weight of 154.11 g/mol, XLogP of -2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio (2R,3R)-2,3-dideuteriooxybutanedioate is sourced from PubChem (CID 176729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).