(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid

C10H12O9 — CID 139069472

IUPAC(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid
SMILESCOC(=O)[C@H]1O[C@@H](C(=O)OC)[C@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C10H12O9/c1-17-9(15)5-3(7(11)12)4(8(13)14)6(19-5)10(16)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14)/t3-,4+,5-,6+
InChIKeyFFTKIVIIHGQKRL-FBXFSONDSA-N
MW276.20 g/mol
LogP-1.50
Rot. Bonds4

About (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid

(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid (PubChem CID 139069472) has the molecular formula C10H12O9 and a molecular weight of 276.20 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid
PubChem CID139069472
Molecular FormulaC10H12O9
Molecular Weight276.20 g/mol
Exact Mass276.05
IUPAC Name(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid
SMILESCOC(=O)[C@H]1O[C@@H](C(=O)OC)[C@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C10H12O9/c1-17-9(15)5-3(7(11)12)4(8(13)14)6(19-5)10(16)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14)/t3-,4+,5-,6+
InChIKeyFFTKIVIIHGQKRL-FBXFSONDSA-N
XLogP-1.50
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid?
The IUPAC name of (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid (CID 139069472) is (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid.
What is the SMILES notation for (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid?
The canonical SMILES for (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid is COC(=O)[C@H]1O[C@@H](C(=O)OC)[C@H](C(=O)O)[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid?
The InChIKey is FFTKIVIIHGQKRL-FBXFSONDSA-N. The full InChI is InChI=1S/C10H12O9/c1-17-9(15)5-3(7(11)12)4(8(13)14)6(19-5)10(16)18-2/h3-6H,1-2H3,(H,11,12)(H,13,14)/t3-,4+,5-,6+.
What are the key properties of (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid?
(2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid has a molecular weight of 276.20 g/mol, XLogP of -1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2,5-bis(methoxycarbonyl)oxolane-3,4-dicarboxylic acid is sourced from PubChem (CID 139069472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).