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119567-79-2 | 1H-1,2,4-Triazole-3-carboximidamide, 1-β-D-ribofuranosyl-
CAS No: 119567-79-2 Catalog No: AG0010OO MDL No:
Product Description
Catalog Number:
AG0010OO
Chemical Name:
1H-1,2,4-Triazole-3-carboximidamide, 1-β-D-ribofuranosyl-
CAS Number:
119567-79-2
Molecular Formula:
C8H13N5O4
Molecular Weight:
243.2199
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
InChI:
InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1
InChI Key:
NHKZSTHOYNWEEZ-AFCXAGJDSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=N)N
UNII:
R3B1994K2E
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
243.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
243.223g/mol
Monoisotopic Mass:
243.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
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