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131922-30-0 | 4-Thiazolecarboxamide, 2-[2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-, (2R-cis)- (9CI)
CAS No: 131922-30-0 Catalog No: AG000ZXT MDL No:
Product Description
Catalog Number:
AG000ZXT
Chemical Name:
4-Thiazolecarboxamide, 2-[2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-, (2R-cis)- (9CI)
CAS Number:
131922-30-0
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
IUPAC Name:
2-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C9H10N2O3S/c10-8(13)6-4-15-9(11-6)7-2-1-5(3-12)14-7/h1-2,4-5,7,12H,3H2,(H2,10,13)/t5-,7+/m0/s1
InChI Key:
HAUJIUYEOGTBMH-CAHLUQPWSA-N
SMILES:
NC(=O)c1csc(n1)[C@@H]1O[C@@H](C=C1)CO
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| New saponins from the starfish Certonardoa semiregularis. | Journal of natural products 20021101 |
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