(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol

C8H17NO5S — CID 7187937

IUPAC(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1NCCS1
InChIInChI=1S/C8H17NO5S/c10-3-4(11)5(12)6(13)7(14)8-9-1-2-15-8/h4-14H,1-3H2/t4-,5-,6-,7+,8+/m1/s1
InChIKeyRCHUVONGFCEQNK-YQXRAVKXSA-N
MW239.29 g/mol
LogP-2.92
Rot. Bonds5

About (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol

(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol (PubChem CID 7187937) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
PubChem CID7187937
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Name(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1NCCS1
InChIInChI=1S/C8H17NO5S/c10-3-4(11)5(12)6(13)7(14)8-9-1-2-15-8/h4-14H,1-3H2/t4-,5-,6-,7+,8+/m1/s1
InChIKeyRCHUVONGFCEQNK-YQXRAVKXSA-N
XLogP-2.92
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.29
LogP ≤ 5-2.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(1R,2R,3R)-1-(1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
CID 101134454
(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
CID 10398173
1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
CID 141047771
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol (CID 7187937) is (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1NCCS1.
What is the InChIKey of (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol?
The InChIKey is RCHUVONGFCEQNK-YQXRAVKXSA-N. The full InChI is InChI=1S/C8H17NO5S/c10-3-4(11)5(12)6(13)7(14)8-9-1-2-15-8/h4-14H,1-3H2/t4-,5-,6-,7+,8+/m1/s1.
What are the key properties of (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol?
(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol has a molecular weight of 239.29 g/mol, XLogP of -2.92, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 7187937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).