(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid

C6H10O6 — CID 130754854

IUPAC(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
SMILESCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3+,4-,6+/m0/s1
InChIKeyZXILWSMTRHULKY-BGYOELTMSA-N
MW178.14 g/mol
LogP-1.84
Rot. Bonds2

About (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid

(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid (PubChem CID 130754854) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
PubChem CID130754854
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
SMILESCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3+,4-,6+/m0/s1
InChIKeyZXILWSMTRHULKY-BGYOELTMSA-N
XLogP-1.84
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
CID 131878561
CID 131878561
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 145317527
3,5-dihydroxy-6-methoxy-4-nitrosooxane-2-carboxylic acid
CID 88958522
methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
CID 130763840
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid;ethane
CID 145317526
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
CID 102308079
(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 101001386
potassium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
CID 154734807
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-propanoyloxyoxane-2-carboxylic acid
CID 163847394
(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-methoxy-5-sulfooxyoxane-2-carboxylic acid
CID 70678485
(3S,4S,6S)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid;methane
CID 159269076

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The IUPAC name of (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid (CID 130754854) is (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid is CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
The InChIKey is ZXILWSMTRHULKY-BGYOELTMSA-N. The full InChI is InChI=1S/C6H10O6/c1-11-6-3(8)2(7)4(12-6)5(9)10/h2-4,6-8H,1H3,(H,9,10)/t2-,3+,4-,6+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid?
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid has a molecular weight of 178.14 g/mol, XLogP of -1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid is sourced from PubChem (CID 130754854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).