alumane;2,3-dihydroxybutanedioic acid

C4H9AlO6 — CID 173001814

IUPACalumane;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.[AlH3]
InChIInChI=1S/C4H6O6.Al.3H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;
InChIKeyUDYCGJYFEITWFN-UHFFFAOYSA-N
MW180.09 g/mol
LogP-3.31
Rot. Bonds3

About alumane;2,3-dihydroxybutanedioic acid

alumane;2,3-dihydroxybutanedioic acid (PubChem CID 173001814) has the molecular formula C4H9AlO6 and a molecular weight of 180.09 g/mol. Its IUPAC name is alumane;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Namealumane;2,3-dihydroxybutanedioic acid
PubChem CID173001814
Molecular FormulaC4H9AlO6
Molecular Weight180.09 g/mol
Exact Mass180.02
IUPAC Namealumane;2,3-dihydroxybutanedioic acid
SMILESO=C(O)C(O)C(O)C(=O)O.[AlH3]
InChIInChI=1S/C4H6O6.Al.3H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;
InChIKeyUDYCGJYFEITWFN-UHFFFAOYSA-N
XLogP-3.31
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 5-3.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
azanide;2,3-dihydroxybutanedioic acid;titanium
CID 87433733
barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
CID 173390294

Frequently Asked Questions

What is the IUPAC name of alumane;2,3-dihydroxybutanedioic acid?
The IUPAC name of alumane;2,3-dihydroxybutanedioic acid (CID 173001814) is alumane;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for alumane;2,3-dihydroxybutanedioic acid?
The canonical SMILES for alumane;2,3-dihydroxybutanedioic acid is O=C(O)C(O)C(O)C(=O)O.[AlH3].
What is the InChIKey of alumane;2,3-dihydroxybutanedioic acid?
The InChIKey is UDYCGJYFEITWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.Al.3H/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;.
What are the key properties of alumane;2,3-dihydroxybutanedioic acid?
alumane;2,3-dihydroxybutanedioic acid has a molecular weight of 180.09 g/mol, XLogP of -3.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 173001814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).