3-formyloxy-2,3-dihydroxypentanedioic acid

C6H8O8 — CID 134309574

IUPAC3-formyloxy-2,3-dihydroxypentanedioic acid
SMILESO=COC(O)(CC(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O8/c7-2-14-6(13,1-3(8)9)4(10)5(11)12/h2,4,10,13H,1H2,(H,8,9)(H,11,12)
InChIKeyGTCNXDRBXHMPAN-UHFFFAOYSA-N
MW208.12 g/mol
LogP-2.23
Rot. Bonds6

About 3-formyloxy-2,3-dihydroxypentanedioic acid

3-formyloxy-2,3-dihydroxypentanedioic acid (PubChem CID 134309574) has the molecular formula C6H8O8 and a molecular weight of 208.12 g/mol. Its IUPAC name is 3-formyloxy-2,3-dihydroxypentanedioic acid.

Molecular Properties

Compound Name3-formyloxy-2,3-dihydroxypentanedioic acid
PubChem CID134309574
Molecular FormulaC6H8O8
Molecular Weight208.12 g/mol
Exact Mass208.02
IUPAC Name3-formyloxy-2,3-dihydroxypentanedioic acid
SMILESO=COC(O)(CC(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O8/c7-2-14-6(13,1-3(8)9)4(10)5(11)12/h2,4,10,13H,1H2,(H,8,9)(H,11,12)
InChIKeyGTCNXDRBXHMPAN-UHFFFAOYSA-N
XLogP-2.23
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-formyloxy-3-hydroxypentanedioic acid
CID 58104781
3,4-dibromo-3-formyloxybutanoic acid
CID 89402854
dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
CID 173084487
2-amino-3,3-dihydroxypentanedioic acid
CID 87266041
3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 174534282
(2-formyloxy-1,2-dihydroxy-3-methoxypropyl) formate;bis(yttrium)
CID 58097660
3-carboxyoxy-3-hydroxypentanedioic acid
CID 87061582
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
2,3-dihydroxy-3,5-dimethoxypentanoic acid
CID 139684914
1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87350226
azane;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173214936
(Z)-but-2-enedioic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87673208

Frequently Asked Questions

What is the IUPAC name of 3-formyloxy-2,3-dihydroxypentanedioic acid?
The IUPAC name of 3-formyloxy-2,3-dihydroxypentanedioic acid (CID 134309574) is 3-formyloxy-2,3-dihydroxypentanedioic acid.
What is the SMILES notation for 3-formyloxy-2,3-dihydroxypentanedioic acid?
The canonical SMILES for 3-formyloxy-2,3-dihydroxypentanedioic acid is O=COC(O)(CC(=O)O)C(O)C(=O)O.
What is the InChIKey of 3-formyloxy-2,3-dihydroxypentanedioic acid?
The InChIKey is GTCNXDRBXHMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8/c7-2-14-6(13,1-3(8)9)4(10)5(11)12/h2,4,10,13H,1H2,(H,8,9)(H,11,12).
What are the key properties of 3-formyloxy-2,3-dihydroxypentanedioic acid?
3-formyloxy-2,3-dihydroxypentanedioic acid has a molecular weight of 208.12 g/mol, XLogP of -2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyloxy-2,3-dihydroxypentanedioic acid is sourced from PubChem (CID 134309574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).