2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide

C6H9I6O7- — CID 160697021

IUPAC2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide
SMILESI.II.I[I-]I.O=COCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.I3.I2.HI/c7-3-13-2-6(12,5(10)11)1-4(8)9;1-3-2;1-2;/h3,12H,1-2H2,(H,8,9)(H,10,11);;;1H/q;-1;;
InChIKeyBSWCZYAUHOAZAF-UHFFFAOYSA-N
MW954.56 g/mol
LogP-0.39
Rot. Bonds6

About 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide

2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide (PubChem CID 160697021) has the molecular formula C6H9I6O7- and a molecular weight of 954.56 g/mol. Its IUPAC name is 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide.

Molecular Properties

Compound Name2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide
PubChem CID160697021
Molecular FormulaC6H9I6O7-
Molecular Weight954.56 g/mol
Exact Mass954.46
IUPAC Name2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide
SMILESI.II.I[I-]I.O=COCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.I3.I2.HI/c7-3-13-2-6(12,5(10)11)1-4(8)9;1-3-2;1-2;/h3,12H,1-2H2,(H,8,9)(H,10,11);;;1H/q;-1;;
InChIKeyBSWCZYAUHOAZAF-UHFFFAOYSA-N
XLogP-0.39
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500954.56
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 6335619
CID 6335619
CID 87090686
CID 87090686
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
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CID 90472972
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hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802

Frequently Asked Questions

What is the IUPAC name of 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide?
The IUPAC name of 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide (CID 160697021) is 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide.
What is the SMILES notation for 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide?
The canonical SMILES for 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide is I.II.I[I-]I.O=COCC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide?
The InChIKey is BSWCZYAUHOAZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.I3.I2.HI/c7-3-13-2-6(12,5(10)11)1-4(8)9;1-3-2;1-2;/h3,12H,1-2H2,(H,8,9)(H,10,11);;;1H/q;-1;;.
What are the key properties of 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide?
2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide has a molecular weight of 954.56 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(formyloxymethyl)-2-hydroxybutanedioic acid;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 160697021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).