CAS Number:
1184-16-3
MDL No.:
MFCD00036973
Catalog Number:
A855260
EINECS:
Molecular Formula:
C2 1 H2 7 N7 NaO1 7 P3
Molecular Weight:
765.39
Boiling point:
Melting point:
175-178 °C (dec.) (lit.)
Flash point:
Density:
Appearance:
Off white to slightly yellow powder
Storage:
Store in 2-8°C for long term (months)
Chiral Purity:
Optical Rotation:
Refractivity:
Synonyms:
Smiles:
P(O[C@@]1([C@](O[H])([H])[C@](C(OP(OP(OC([C@]2(O[C@]([N+]3C([H])=C(C(=O)N([H])[H])C([H])=C([H])C=3[H])([H])[C@@](O[H])([H])[C@]2(O[H])[H])[H])([H])[H])([O-])=O)([O-])=O)([H])[H])([H])O[C@]1(N1C2C(=C(N=C(N=2)[H])N([H])[H])N=C1[H])[H])[H])(O[H])(O[H])=O.[Na+]
InchiKey:
JNUMDLCHLVUHFS-WQJCCFBDSA-M
Inchi:
InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13+,14+,15-,16-,20-,21-;/m1./s1