carbonic acid;2-hydroxybutanedioic acid

C5H8O8 — CID 160732172

IUPACcarbonic acid;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C(O)O
InChIInChI=1S/C4H6O5.CH2O3/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2,5H,1H2,(H,6,7)(H,8,9);(H2,2,3,4)
InChIKeyRUMIJOTZATXBSR-UHFFFAOYSA-N
MW196.11 g/mol
LogP-0.87
Rot. Bonds3

About carbonic acid;2-hydroxybutanedioic acid

carbonic acid;2-hydroxybutanedioic acid (PubChem CID 160732172) has the molecular formula C5H8O8 and a molecular weight of 196.11 g/mol. Its IUPAC name is carbonic acid;2-hydroxybutanedioic acid.

Molecular Properties

Compound Namecarbonic acid;2-hydroxybutanedioic acid
PubChem CID160732172
Molecular FormulaC5H8O8
Molecular Weight196.11 g/mol
Exact Mass196.02
IUPAC Namecarbonic acid;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.O=C(O)O
InChIInChI=1S/C4H6O5.CH2O3/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2,5H,1H2,(H,6,7)(H,8,9);(H2,2,3,4)
InChIKeyRUMIJOTZATXBSR-UHFFFAOYSA-N
XLogP-0.87
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

cobalt;2-hydroxybutanedioic acid
CID 87544145
2-hydroxybutanedioic acid;iron
CID 174146167
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
2-hydroxybutanedioic acid;methylsulfinylmethane
CID 175504594
2-aminobutanedioic acid;2-hydroxybutanedioic acid
CID 87166699

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxybutanedioic acid?
The IUPAC name of carbonic acid;2-hydroxybutanedioic acid (CID 160732172) is carbonic acid;2-hydroxybutanedioic acid.
What is the SMILES notation for carbonic acid;2-hydroxybutanedioic acid?
The canonical SMILES for carbonic acid;2-hydroxybutanedioic acid is O=C(O)CC(O)C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroxybutanedioic acid?
The InChIKey is RUMIJOTZATXBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.CH2O3/c5-2(4(8)9)1-3(6)7;2-1(3)4/h2,5H,1H2,(H,6,7)(H,8,9);(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroxybutanedioic acid?
carbonic acid;2-hydroxybutanedioic acid has a molecular weight of 196.11 g/mol, XLogP of -0.87, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxybutanedioic acid is sourced from PubChem (CID 160732172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).