2,4,6,8-Tetraoxa-5-phosphanonanedioic acid,5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-,bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1)


Chemical Name: 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid,5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-,bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1)
CAS Number: 202138-50-9
Product Number: AG002836(AGN-PC-0QSPBZ)
Synonyms:
MDL No:
Molecular Formula: C23H34N5O14P
Molecular Weight: 635.5149

Identification/Properties


Properties
MP:
113-115°C
BP:
642.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
635.52g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
18
Rotatable Bond Count:
19
Exact Mass:
635.184g/mol
Monoisotopic Mass:
635.184g/mol
Topological Polar Surface Area:
260A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
817
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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