799815-84-2
8-AMINO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
Name8-AMINO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
1Identification
【Name】
8-AMINO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE
【CAS】
【MDL】
MFCD11617427
【English Synonyms】
【Formula】
C13H19N5O12P2
【MolWeight】
499.264
【Inchi】
InChI=1S/C13H19N5O12P2/c14-13-16-7-10-15-4-17(11(7)21)5-26-1-2-27-31(22,23)30-32(24,25)28-3-6-8(19)9(20)12(29-6)18(10)13/h4,6,8-9,12,19-20H,1-3,5H2,(H2,14,16)(H,22,23)(H,24,25)/t6-,8-,9-,12-/m1/s1
【InChIKey】
InChIKey=QLNZFTUXDBUNPZ-WOUKDFQISA-N
【SMILES】
[H][C@]12COP(O)(=O)OP(O)(=O)OCCOCN3C=NC4=C(N=C(N)N4[C@]([H])(O1)[C@H](O)[C@@H]2O)C3=O
【MOL File】
8-AMINO-N1-[(5''-O-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:17
XLogP3:-4.899
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-AMINO-N1-[(5''-O-PHOSPHORYLETHOXY)METHYL]-5'-O-PHOSPHORYLINOSINE 5',5''-CYCLICPYROPHOSPHATE.cml