CAS Number:
53-84-9
MDL No.:
MFCD00036253
Catalog Number:
A927980
EINECS:
Molecular Formula:
C2 1 H2 7 N7 O1 4 P2
Molecular Weight:
663.43
Boiling point:
Melting point:
140 - 142°C
Flash point:
Density:
Appearance:
White powder
Storage:
Store in 2-8°C for long term (months)
Chiral Purity:
Optical Rotation:
D20 -31.5° (c = 1.2 in water)
Refractivity:
Synonyms:
1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium
Smiles:
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
InchiKey:
BAWFJGJZGIEFAR-NNYOXOHSSA-N
Inchi:
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1