Tris(trimethylsilyl)guanine - CAS 18602-85-2

Catalog:	BB057042
Product Name:	Tris(trimethylsilyl)guanine
CAS:	18602-85-2
Synonyms:	N,9-Bis(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9H-purin-2-amine; 2,6,9-Tris(trimethylsilyl)guanine; 6-(Trimethylsiloxy)-9-(trimethylsilyl)-2-[(trimethylsilyl)amino]-9H-purine

Technical Data

IUPAC Name:	N,9-bis(trimethylsilyl)-6-trimethylsilyloxypurin-2-amine
Description:	Tris(trimethylsilyl)guanine is an intermediate used in the synthesis of 9-(2-Hydroxyethyl)guanine (H942035), which is an impurity of the antiviral agent Acyclovir (A192400). 9-(2-Hydroxyethyl)guanine is a nucleoside phosphotransferase acceptor.
Molecular Weight:	367.67
Molecular Formula:	C14H29N5OSi3
Canonical SMILES:	C[Si](C)(C)NC1=NC2=C(C(=N1)O[Si](C)(C)C)N=CN2[Si](C)(C)C
InChI:	InChI=1S/C14H29N5OSi3/c1-21(2,3)18-14-16-12-11(13(17-14)20-23(7,8)9)15-10-19(12)22(4,5)6/h10H,1-9H3,(H,16,17,18)
InChI Key:	ZTKRDVGMYXNNJL-UHFFFAOYSA-N
Solubility:	Toluene; Ethyl Acetate; DMSO
Appearance:	Pale Yellow
References:	Kamimura, A. et al. Agric. Biol. Chem., 37, 2037 (1973).

Complexity:	418
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	367.16799017
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	367.16799017
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0