25816-88-0
N'-(9-BETA-D-ARABINOFURANOSYL-9H-PURIN-6-YL)-N,N-DIMETHYL-ACETAMIDINE
NameN'-(9-BETA-D-ARABINOFURANOSYL-9H-PURIN-6-YL)-N,N-DIMETHYL-ACETAMIDINE
1Identification
【Name】
N'-(9-BETA-D-ARABINOFURANOSYL-9H-PURIN-6-YL)-N,N-DIMETHYL-ACETAMIDINE
【CAS】
【MDL】
MFCD01671286
【English Synonyms】
【Formula】
C14 H20 N6 O4
【MolWeight】
336.35
【Inchi】
InChI=1S/C14H20N6O4/c1-7(19(2)3)18-12-9-13(16-5-15-12)20(6-17-9)14-11(23)10(22)8(4-21)24-14/h5-6,8,10-11,14,21-23H,4H2,1-3H3/b18-7-/t8-,10-,11+,14-/m1/s1
【InChIKey】
InChIKey=RSXQIOUBQZUUGO-BEVBHIEGSA-N
【SMILES】
C/C(=N/c1c2c(ncn1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)/N(C)C
【MOL File】
N'-(9-BETA-D-ARABINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N'-(9-BETA-D-ARABINOFURANOSYL-9H-PURIN-6-YL)-N,N-DIMETHYL-ACETAMIDINE.cml