3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid

C10H16O8 — CID 59463736

IUPAC3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid
SMILESCC(C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C10H16O8/c1-3(2)9(16)18-10-6(13)4(11)5(12)7(17-10)8(14)15/h3-7,10-13H,1-2H3,(H,14,15)
InChIKeyVOYBRXASXNGHHP-UHFFFAOYSA-N
MW264.23 g/mol
LogP-1.92
Rot. Bonds3

About 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid

3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid (PubChem CID 59463736) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid.

Molecular Properties

Compound Name3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid
PubChem CID59463736
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid
SMILESCC(C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C10H16O8/c1-3(2)9(16)18-10-6(13)4(11)5(12)7(17-10)8(14)15/h3-7,10-13H,1-2H3,(H,14,15)
InChIKeyVOYBRXASXNGHHP-UHFFFAOYSA-N
XLogP-1.92
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid?
The IUPAC name of 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid (CID 59463736) is 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid.
What is the SMILES notation for 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid?
The canonical SMILES for 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid is CC(C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O.
What is the InChIKey of 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid?
The InChIKey is VOYBRXASXNGHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8/c1-3(2)9(16)18-10-6(13)4(11)5(12)7(17-10)8(14)15/h3-7,10-13H,1-2H3,(H,14,15).
What are the key properties of 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid?
3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of -1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-6-(2-methylpropanoyloxy)oxane-2-carboxylic acid is sourced from PubChem (CID 59463736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).