151837-09-1
ADENOSINE 3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER, TRIETHYLAMMONIUM SALT
NameADENOSINE 3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER, TRIETHYLAMMONIUM SALT
FormulaC10 H12 N5 O5 P S . C6 H15 N
1Identification
【Name】
ADENOSINE 3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER, TRIETHYLAMMONIUM SALT
【CAS】
【MDL】
MFCD01459900
【English Synonyms】
【Formula】
C10 H12 N5 O5 P S . C6 H15 N
【MolWeight】
446.466
【Inchi】
InChI=1S/C10H12N5O5PS.C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7;1-4-7(5-2)6-3/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13);4-6H2,1-3H3/t4-,6-,7-,10-,21-;/m1./s1
【InChIKey】
InChIKey=OXIPZMKSNMRTIV-RNSTXJOVSA-N
【SMILES】
CCN(CC)CC.c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)S)O)N
【MOL File】
ADENOSINE 3',5'-CYCL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:-2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ADENOSINE 3',5'-CYCLIC MONOPHOSPHOROTHIOATE, RP-ISOMER, TRIETHYLAMMONIUM SALT.cml