Home Carboxys (2R,4R)-2-[D-Xylo-tetrahydroxybut-1-yl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-[D-Xylo-tetrahydroxybut-1-yl]-1,3-thiazolidine-4-carboxylic acid

CAS No.:
110270-19-4
Catalog Number:
AG007DR6
Molecular Formula:
C8H15NO6S
Molecular Weight:
253.2728
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Product Description
Catalog Number:
AG007DR6
Chemical Name:
(2R,4R)-2-[D-Xylo-tetrahydroxybut-1-yl]-1,3-thiazolidine-4-carboxylic acid
CAS Number:
110270-19-4
Molecular Formula:
C8H15NO6S
Molecular Weight:
253.2728
MDL Number:
MFCD00186589
IUPAC Name:
(2R,4R)-2-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C8H15NO6S/c10-1-4(11)5(12)6(13)7-9-3(2-16-7)8(14)15/h3-7,9-13H,1-2H2,(H,14,15)/t3-,4+,5-,6+,7+/m0/s1
InChI Key:
AGZXTDUDXXPCMJ-PJEQPVAWSA-N
SMILES:
OC[C@H]([C@@H]([C@H]([C@H]1SC[C@H](N1)C(=O)O)O)O)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
253.269g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8  
Properties