127634-20-2
8-BROMOADENOSINE 3',5'-CYCLIC MONOPHOSPHOTHIOATE, SP-ISOMER SODIUM SALT
Name8-BROMOADENOSINE 3',5'-CYCLIC MONOPHOSPHOTHIOATE, SP-ISOMER SODIUM SALT
FormulaC10 H10 Br N5 O5 P S . Na
1Identification
【Name】
8-BROMOADENOSINE 3',5'-CYCLIC MONOPHOSPHOTHIOATE, SP-ISOMER SODIUM SALT
【CAS】
【MDL】
MFCD04037240
【English Synonyms】
【Formula】
C10 H10 Br N5 O5 P S . Na
【MolWeight】
446.153
【Inchi】
InChI=1S/C10H11BrN5O5PS.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6;/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-,22+;/m1./s1
【InChIKey】
InChIKey=SKJLJCVVXRNYGJ-GWHKBMFWSA-M
【SMILES】
c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)[O-])O)N.[Na+]
【MOL File】
8-BROMOADENOSINE 3',….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMOADENOSINE 3',5'-CYCLIC MONOPHOSPHOTHIOATE, SP-ISOMER SODIUM SALT.cml