2-amino-9-[1,1,2,2-tetradeuterio-4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one


Chemical Name: 2-amino-9-[1,1,2,2-tetradeuterio-4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one
CAS Number: 39809-25-1
Product Number: AG00IKID(AGN-PC-0JEKWX)
Synonyms:
MDL No: MFCD00866931
Molecular Formula: C10H15N5O3
Molecular Weight: 253.2578

Identification/Properties


Properties
MP:
275-277°C
BP:
653.4°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Solubility:
0.02 M potassium phosphate: soluble2mg/mL
Computed Properties
Molecular Weight:
253.262g/mol
XLogP3:
-1.9
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
253.117g/mol
Monoisotopic Mass:
253.117g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
344
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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