799815-82-0
8-AZIDO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
Name8-AZIDO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
1Identification
【Name】
8-AZIDO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
【CAS】
【MDL】
MFCD11617428
【English Synonyms】
【Formula】
C13H17N7O12P2
【MolWeight】
525.262
【Inchi】
InChI=1S/C13H17N7O12P2/c14-18-17-13-16-7-10-15-4-19(11(7)23)5-28-1-2-29-33(24,25)32-34(26,27)30-3-6-8(21)9(22)12(31-6)20(10)13/h4,6,8-9,12,21-22H,1-3,5H2,(H,24,25)(H,26,27)/t6-,8-,9-,12-/m1/s1
【InChIKey】
InChIKey=LKAFMIDJBAHSKN-WOUKDFQISA-N
【SMILES】
[H][C@]12COP(O)(=O)OP(O)(=O)OCCOCN3C=NC4=C(N=C(N=[N+]=[N-])N4[C@]([H])(O1)[C@H](O)[C@@H]2O)C3=O
【MOL File】
8-AZIDO-N1-[(5''-O-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:19
XLogP3:-3.6075
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-AZIDO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE.cml