6-S-Methyl-6-thio-5'-guanylic Acid - CAS 34020-33-2

Catalog:	BB076281
Product Name:	6-S-Methyl-6-thio-5'-guanylic Acid
CAS:	34020-33-2
Synonyms:	6-(Methylthio)-9-(5-O-phosphono-β-D-ribofuranosyl)-9H-purin-2-amine;((2R,3S,4R,5R)-5-(2-Amino-6-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Dihydrogen Phosphate

Technical Data

IUPAC Name:	[(2R,3S,4R,5R)-5-(2-amino-6-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Description:	6-S-Methyl-6-thio-5'-guanylic Acid is used for biological study of its immunosuppressant activity.
Molecular Weight:	393.31
Molecular Formula:	C11H16N5O7PS
Canonical SMILES:	CSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O)N
InChI:	InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
InChI Key:	QJRQZGPABIMRAZ-KQYNXXCUSA-N
References:	Chalmers, A. H., et al. Biochem. Pharmacol. 21, 2662 (1972).

Complexity:	529
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	393.05080604
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	393.05080604
Rotatable Bond Count:	5
Topological Polar Surface Area:	211Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-2.7