bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)

C10H16O14V2 — CID 5255070

IUPACbis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
SMILESCC(O)(C(=O)O)C(O)C(=O)O.CC(O)(C(=O)O)C(O)C(=O)O.O=[V].O=[V]
InChIInChI=1S/2C5H8O6.2O.2V/c2*1-5(11,4(9)10)2(6)3(7)8;;;;/h2*2,6,11H,1H3,(H,7,8)(H,9,10);;;;
InChIKeyCTZUSUOQUBXCCJ-UHFFFAOYSA-N
MW462.11 g/mol
LogP-3.71
Rot. Bonds6

About bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)

bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium) (PubChem CID 5255070) has the molecular formula C10H16O14V2 and a molecular weight of 462.11 g/mol. Its IUPAC name is bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium).

Molecular Properties

Compound Namebis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
PubChem CID5255070
Molecular FormulaC10H16O14V2
Molecular Weight462.11 g/mol
Exact Mass461.94
IUPAC Namebis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
SMILESCC(O)(C(=O)O)C(O)C(=O)O.CC(O)(C(=O)O)C(O)C(=O)O.O=[V].O=[V]
InChIInChI=1S/2C5H8O6.2O.2V/c2*1-5(11,4(9)10)2(6)3(7)8;;;;/h2*2,6,11H,1H3,(H,7,8)(H,9,10);;;;
InChIKeyCTZUSUOQUBXCCJ-UHFFFAOYSA-N
XLogP-3.71
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.11
LogP ≤ 5-3.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

2,2,4-trihydroxy-3,3-dimethylpentanedioic acid
CID 142762152
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
(2S)-2,3-dihydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 175112445
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
CID 5255084
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
2-bromo-2-hydroxypropanoic acid
CID 88707429
(2S,3S)-4,4,4-trifluoro-2,3-dihydroxy-3-methylbutanoic acid
CID 124668956
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
5-amino-2,3-dihydroxy-2-methylpentanoic acid
CID 175482621
5-dihydroxyphosphanyloxy-2,3-dihydroxy-2-methyl-4-oxopentanoic acid
CID 170441291

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)?
The IUPAC name of bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium) (CID 5255070) is bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium).
What is the SMILES notation for bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)?
The canonical SMILES for bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium) is CC(O)(C(=O)O)C(O)C(=O)O.CC(O)(C(=O)O)C(O)C(=O)O.O=[V].O=[V].
What is the InChIKey of bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)?
The InChIKey is CTZUSUOQUBXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O6.2O.2V/c2*1-5(11,4(9)10)2(6)3(7)8;;;;/h2*2,6,11H,1H3,(H,7,8)(H,9,10);;;;.
What are the key properties of bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)?
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium) has a molecular weight of 462.11 g/mol, XLogP of -3.71, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium) is sourced from PubChem (CID 5255070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).