2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)

C14H28N2O8 — CID 139366979

IUPAC2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)
SMILESCC1(C)COC[NH2+]1.CC1(C)COC[NH2+]1.O=C([O-])C(O)C(O)C(=O)[O-]
InChIInChI=1S/2C5H11NO.C4H6O6/c2*1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h2*6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyGGEMQIQNOIHENV-UHFFFAOYSA-N
MW352.38 g/mol
LogP-6.16
Rot. Bonds3

About 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)

2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium) (PubChem CID 139366979) has the molecular formula C14H28N2O8 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium).

Molecular Properties

Compound Name2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)
PubChem CID139366979
Molecular FormulaC14H28N2O8
Molecular Weight352.38 g/mol
Exact Mass352.18
IUPAC Name2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)
SMILESCC1(C)COC[NH2+]1.CC1(C)COC[NH2+]1.O=C([O-])C(O)C(O)C(=O)[O-]
InChIInChI=1S/2C5H11NO.C4H6O6/c2*1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h2*6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyGGEMQIQNOIHENV-UHFFFAOYSA-N
XLogP-6.16
TPSA172.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 5-6.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)?
The IUPAC name of 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium) (CID 139366979) is 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium).
What is the SMILES notation for 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)?
The canonical SMILES for 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium) is CC1(C)COC[NH2+]1.CC1(C)COC[NH2+]1.O=C([O-])C(O)C(O)C(=O)[O-].
What is the InChIKey of 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)?
The InChIKey is GGEMQIQNOIHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO.C4H6O6/c2*1-5(2)3-7-4-6-5;5-1(3(7)8)2(6)4(9)10/h2*6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium)?
2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium) has a molecular weight of 352.38 g/mol, XLogP of -6.16, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioate;bis(4,4-dimethyl-1,3-oxazolidin-3-ium) is sourced from PubChem (CID 139366979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).