formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid

C7H12O8 — CID 175998267

IUPACformic acid;3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OCC(O)C(O)C1O.O=CO
InChIInChI=1S/C6H10O6.CH2O2/c7-2-1-12-5(6(10)11)4(9)3(2)8;2-1-3/h2-5,7-9H,1H2,(H,10,11);1H,(H,2,3)
InChIKeyNZJWZRVIKSVMPW-UHFFFAOYSA-N
MW224.16 g/mol
LogP-2.75
Rot. Bonds1

About formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid

formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 175998267) has the molecular formula C7H12O8 and a molecular weight of 224.16 g/mol. Its IUPAC name is formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Nameformic acid;3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID175998267
Molecular FormulaC7H12O8
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Nameformic acid;3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESO=C(O)C1OCC(O)C(O)C1O.O=CO
InChIInChI=1S/C6H10O6.CH2O2/c7-2-1-12-5(6(10)11)4(9)3(2)8;2-1-3/h2-5,7-9H,1H2,(H,10,11);1H,(H,2,3)
InChIKeyNZJWZRVIKSVMPW-UHFFFAOYSA-N
XLogP-2.75
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 5-2.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(2S,3S,4S,5S)-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 89099181
4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
CID 58899199
(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
CID 173451491
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
(2S,3R,4S)-4-ethyl-3-hydroxyoxolane-2-carboxylic acid
CID 126611673
(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
CID 165359373
2-phenyl-1-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 57066081
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
(2S,3S)-3-aminooxetane-2-carboxylic acid
CID 55273860
N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 18427373

Frequently Asked Questions

What is the IUPAC name of formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid (CID 175998267) is formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid is O=C(O)C1OCC(O)C(O)C1O.O=CO.
What is the InChIKey of formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is NZJWZRVIKSVMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6.CH2O2/c7-2-1-12-5(6(10)11)4(9)3(2)8;2-1-3/h2-5,7-9H,1H2,(H,10,11);1H,(H,2,3).
What are the key properties of formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid?
formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 224.16 g/mol, XLogP of -2.75, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 175998267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).