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Tiazofurine

CAS No.:
60084-10-8
Catalog Number:
AG00ECLY
Molecular Formula:
C9H12N2O5S
Molecular Weight:
260.2670
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Product Description
Catalog Number:
AG00ECLY
Chemical Name:
Tiazofurine
CAS Number:
60084-10-8
Molecular Formula:
C9H12N2O5S
Molecular Weight:
260.2670
MDL Number:
MFCD00866494
IUPAC Name:
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
InChI Key:
FVRDYQYEVDDKCR-DBRKOABJSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1scc(n1)C(=O)N
UNII:
ULJ82834RE
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
260.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
260.264g/mol
Monoisotopic Mass:
260.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Literature
Title Journal
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Properties