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

C14H23NO9S — CID 53375630

IUPAC(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-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]1O
InChIInChI=1S/C14H23NO9S/c1-21-13-9(19)7(17)5(23-13)3-15-6(16)4-25-12(15)11-8(18)10(20)14(22-2)24-11/h5,7-14,17-20H,3-4H2,1-2H3/t5-,7-,8+,9-,10-,11+,12-,13-,14-/m1/s1
InChIKeyMUGCFWCEMSKZIW-RXSLYHCLSA-N
MW381.40 g/mol
LogP-2.93
Rot. Bonds5

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

(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one (PubChem CID 53375630) has the molecular formula C14H23NO9S and a molecular weight of 381.40 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one
PubChem CID53375630
Molecular FormulaC14H23NO9S
Molecular Weight381.40 g/mol
Exact Mass381.11
IUPAC Name(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-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]1O
InChIInChI=1S/C14H23NO9S/c1-21-13-9(19)7(17)5(23-13)3-15-6(16)4-25-12(15)11-8(18)10(20)14(22-2)24-11/h5,7-14,17-20H,3-4H2,1-2H3/t5-,7-,8+,9-,10-,11+,12-,13-,14-/m1/s1
InChIKeyMUGCFWCEMSKZIW-RXSLYHCLSA-N
XLogP-2.93
TPSA138.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 5-2.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one (CID 53375630) is (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-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]1O.
What is the InChIKey of (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is MUGCFWCEMSKZIW-RXSLYHCLSA-N. The full InChI is InChI=1S/C14H23NO9S/c1-21-13-9(19)7(17)5(23-13)3-15-6(16)4-25-12(15)11-8(18)10(20)14(22-2)24-11/h5,7-14,17-20H,3-4H2,1-2H3/t5-,7-,8+,9-,10-,11+,12-,13-,14-/m1/s1.
What are the key properties of (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one?
(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 381.40 g/mol, XLogP of -2.93, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 53375630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).