Catalog Number:
AG0096R7
Chemical Name:
(3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid
CAS Number:
120355-42-2
Molecular Formula:
C13H13ClN4O5
Molecular Weight:
340.7191
MDL Number:
MFCD30187724
IUPAC Name:
(3aR,4R,6S,6aS)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
InChI:
InChI=1S/C13H13ClN4O5/c1-13(2)22-6-7(23-13)11(21-8(6)12(19)20)18-4-17-5-9(14)15-3-16-10(5)18/h3-4,6-8,11H,1-2H3,(H,19,20)/t6-,7+,8-,11+/m0/s1
InChI Key:
BWQOSYSWEARUOW-MCHASIABSA-N
SMILES:
OC(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1ncnc2Cl
