AG003AHY

120687-07-2 | 9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine

AG003AHY

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	120687-07-2
Catalog Number	AG003AHY(AGN-PC-0WGGF3)
Chemical Name	9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine
IUPAC Name	[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate
InChI	InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)
InChI Key	OUMGIMAEASXOJH-UHFFFAOYSA-N
MDL Number	MFCD08063728
Molecular Formula	C12H17N5O3
Molecular Weight	279.2951
SMILES	C(C)(=O)OCC(CCN1C2=NC(=NC=C2N=C1)N)CO
Synonyms	Desacetyl Famciclovir, 104227-88-5, 9-[4-acetoxy-3-(hydroxymethyl)but-1-yl]-2-aminopurine, 120687-07-2, CHEMBL881, SCHEMBL1878763, CTK8F1130, DTXSID60434620, OUMGIMAEASXOJH-UHFFFAOYSA-N, BRL 43594, MONOACETYL-6-DEOXY PENCICLOVIR, AKOS030255718, API0005547, KS-000002L1, RT-012262, FT-0665920, J-001135, 9-(4-acetoxy-3-hydroxymethylbut-1-yl)-2-aminopurine, Desacetyl Famciclovir (Famciclovir Related Compound B), 4-(2-amino-9h-purin-9-yl)-2-(hydroxymethyl)butyl acetate, 2-[2-(2-Amino-9H-purin-9-yl)ethyl]-1,3-propanediol 1-Acetate, CID10039252, [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] Acetate,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.133g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.3g/mol
Monoisotopic Mass	279.133g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number