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

C12H20O14V2 — CID 5255084

IUPACbis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
SMILESCC(O)(C(=O)O)C(C)(O)C(=O)O.CC(O)(C(=O)O)C(C)(O)C(=O)O.O=[V].O=[V]
InChIInChI=1S/2C6H10O6.2O.2V/c2*1-5(11,3(7)8)6(2,12)4(9)10;;;;/h2*11-12H,1-2H3,(H,7,8)(H,9,10);;;;
InChIKeyOCUARCHCZAZESF-UHFFFAOYSA-N
MW490.17 g/mol
LogP-2.93
Rot. Bonds6

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

bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium) (PubChem CID 5255084) has the molecular formula C12H20O14V2 and a molecular weight of 490.17 g/mol. Its IUPAC name is bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium).

Molecular Properties

Compound Namebis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
PubChem CID5255084
Molecular FormulaC12H20O14V2
Molecular Weight490.17 g/mol
Exact Mass489.97
IUPAC Namebis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
SMILESCC(O)(C(=O)O)C(C)(O)C(=O)O.CC(O)(C(=O)O)C(C)(O)C(=O)O.O=[V].O=[V]
InChIInChI=1S/2C6H10O6.2O.2V/c2*1-5(11,3(7)8)6(2,12)4(9)10;;;;/h2*11-12H,1-2H3,(H,7,8)(H,9,10);;;;
InChIKeyOCUARCHCZAZESF-UHFFFAOYSA-N
XLogP-2.93
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.17
LogP ≤ 5-2.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3S)-2,3,4-trihydroxy-2,3-dimethyl-4-oxobutanoate
CID 132502832
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CID 71309334
3,3-diacetyl-2-hydroxy-2-methyl-4-oxopentanoic acid
CID 174259397
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
bis(2,3-dihydroxy-2-methylbutanedioic acid);bis(oxovanadium)
CID 5255070
2-bromo-2-hydroxypropanoic acid
CID 88707429
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
2,3-dihydroxy-2-methyl-3-prop-1-enylbutanedioic acid
CID 172760042

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)?
The IUPAC name of bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium) (CID 5255084) is bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium).
What is the SMILES notation for bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)?
The canonical SMILES for bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium) is CC(O)(C(=O)O)C(C)(O)C(=O)O.CC(O)(C(=O)O)C(C)(O)C(=O)O.O=[V].O=[V].
What is the InChIKey of bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)?
The InChIKey is OCUARCHCZAZESF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O6.2O.2V/c2*1-5(11,3(7)8)6(2,12)4(9)10;;;;/h2*11-12H,1-2H3,(H,7,8)(H,9,10);;;;.
What are the key properties of bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)?
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium) has a molecular weight of 490.17 g/mol, XLogP of -2.93, 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-2,3-dimethylbutanedioic acid);bis(oxovanadium) is sourced from PubChem (CID 5255084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).