(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol

C7H15NO4S — CID 10398173

IUPAC(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1NCCS1
InChIInChI=1S/C7H15NO4S/c9-3-4(10)5(11)6(12)7-8-1-2-13-7/h4-12H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyAWVZVRNVQCAWAJ-MVIOUDGNSA-N
MW209.27 g/mol
LogP-2.28
Rot. Bonds4

About (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol

(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol (PubChem CID 10398173) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
PubChem CID10398173
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1NCCS1
InChIInChI=1S/C7H15NO4S/c9-3-4(10)5(11)6(12)7-8-1-2-13-7/h4-12H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyAWVZVRNVQCAWAJ-MVIOUDGNSA-N
XLogP-2.28
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
CID 7187937
1-(1,3-thiazolidin-2-yl)propane-1,2,3-triol
CID 141047771
(2R,4R)-2-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid
CID 92525462
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(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
(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
CID 121494104
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol (CID 10398173) is (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1NCCS1.
What is the InChIKey of (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol?
The InChIKey is AWVZVRNVQCAWAJ-MVIOUDGNSA-N. The full InChI is InChI=1S/C7H15NO4S/c9-3-4(10)5(11)6(12)7-8-1-2-13-7/h4-12H,1-3H2/t4-,5-,6+,7-/m1/s1.
What are the key properties of (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol?
(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol has a molecular weight of 209.27 g/mol, XLogP of -2.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol is sourced from PubChem (CID 10398173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).