Home Other Building Blocks Guanosine, 6-thio-, 2',3',5'-triacetate (9CI)

Guanosine, 6-thio-, 2',3',5'-triacetate (9CI)

CAS No.:
2946-36-3
Catalog Number:
AG002YG2
Molecular Formula:
C16H19N5O7S
Molecular Weight:
425.4164
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Product Description
Catalog Number:
AG002YG2
Chemical Name:
Guanosine, 6-thio-, 2',3',5'-triacetate (9CI)
CAS Number:
2946-36-3
Molecular Formula:
C16H19N5O7S
Molecular Weight:
425.4164
MDL Number:
MFCD14584842
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H19N5O7S/c1-6(22)25-4-9-11(26-7(2)23)12(27-8(3)24)15(28-9)21-5-18-10-13(21)19-16(17)20-14(10)29/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,29)/t9-,11-,12-,15-/m1/s1
InChI Key:
BZOOEMDKUJHUEP-SDBHATRESA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=S)COC(=O)C
Properties
Complexity:
747  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
425.101g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
425.416g/mol
Monoisotopic Mass:
425.101g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties