butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen

C8H14O8 — CID 173003473

IUPACbutane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
SMILESO=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.[H][H].[H][H]
InChIInChI=1S/C8H10O8.2H2/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);2*1H
InChIKeyVJSUCHWGXNRQFD-UHFFFAOYSA-N
MW238.19 g/mol
LogP-0.17
Rot. Bonds7

About butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen

butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen (PubChem CID 173003473) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen.

Molecular Properties

Compound Namebutane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
PubChem CID173003473
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Namebutane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
SMILESO=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.[H][H].[H][H]
InChIInChI=1S/C8H10O8.2H2/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);2*1H
InChIKeyVJSUCHWGXNRQFD-UHFFFAOYSA-N
XLogP-0.17
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
hexane-1,2,3,6-tetracarboxylic acid
CID 57214817
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
1-fluoropropane-1,2,3-tricarboxylic acid
CID 71324460
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
1-phosphanylpropane-1,2,3-tricarboxylic acid
CID 57174577
2-(dimethoxymethyl)butanedioic acid
CID 139917524
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
3-methylhexane-1,2,4-tricarboxylic acid
CID 175281734
1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
CID 149436888
tetrasodium;2-(diphosphonomethyl)butanedioic acid;hydride
CID 173319890

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The IUPAC name of butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen (CID 173003473) is butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen.
What is the SMILES notation for butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The canonical SMILES for butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen is O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.[H][H].[H][H].
What is the InChIKey of butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
The InChIKey is VJSUCHWGXNRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O8.2H2/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;;/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);2*1H.
What are the key properties of butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen?
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen has a molecular weight of 238.19 g/mol, XLogP of -0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen is sourced from PubChem (CID 173003473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).