(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one

C15H25NO10S — CID 53375605

IUPAC(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one
SMILESCO[C@H]1O[C@H]([C@H]2SCC(=O)N2C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H25NO10S/c1-23-14-10(21)7(18)5(25-14)3-16-6(17)4-27-13(16)12-9(20)8(19)11(22)15(24-2)26-12/h5,7-15,18-22H,3-4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,13-,14-,15+/m1/s1
InChIKeyZRSGFMRLAAXEOI-BBBGNHTNSA-N
MW411.43 g/mol
LogP-3.57
Rot. Bonds5

About (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one

(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one (PubChem CID 53375605) has the molecular formula C15H25NO10S and a molecular weight of 411.43 g/mol. Its IUPAC name is (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one
PubChem CID53375605
Molecular FormulaC15H25NO10S
Molecular Weight411.43 g/mol
Exact Mass411.12
IUPAC Name(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one
SMILESCO[C@H]1O[C@H]([C@H]2SCC(=O)N2C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H25NO10S/c1-23-14-10(21)7(18)5(25-14)3-16-6(17)4-27-13(16)12-9(20)8(19)11(22)15(24-2)26-12/h5,7-15,18-22H,3-4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,13-,14-,15+/m1/s1
InChIKeyZRSGFMRLAAXEOI-BBBGNHTNSA-N
XLogP-3.57
TPSA158.38 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 5-3.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one (CID 53375605) is (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one is CO[C@H]1O[C@H]([C@H]2SCC(=O)N2C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is ZRSGFMRLAAXEOI-BBBGNHTNSA-N. The full InChI is InChI=1S/C15H25NO10S/c1-23-14-10(21)7(18)5(25-14)3-16-6(17)4-27-13(16)12-9(20)8(19)11(22)15(24-2)26-12/h5,7-15,18-22H,3-4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,13-,14-,15+/m1/s1.
What are the key properties of (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one?
(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 411.43 g/mol, XLogP of -3.57, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 53375605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).