Home Amines 1020719-54-3
1020719-54-3,MFCD07369452
Catalog No.:AA0006GI
1020719-54-3 | 9H-Purine-9-ethan-α,β,β-d3-ol, 6-amino-α-(methyl-d3)-
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Technical Information
Catalog Number:
AA0006GI
Chemical Name:
9H-Purine-9-ethan-α,β,β-d3-ol, 6-amino-α-(methyl-d3)-
CAS Number:
1020719-54-3
Molecular Formula:
C8H5D6N5O
Molecular Weight:
199.2428
MDL Number:
MFCD07369452
IUPAC Name:
(2S)-1-(6-aminopurin-9-yl)-1,1,2,3,3,3-hexadeuteriopropan-2-ol
InChI:
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1/i1D3,2D2,5D
InChI Key:
MJZYTEBKXLVLMY-BWBMVNDDSA-N
SMILES:
Nc1ncnc2c1ncn2C([C@](C([2H])([2H])[2H])(O)[2H])([2H])[2H]
Properties
Computed Properties
 
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
199.134g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
6  
Molecular Weight:
199.247g/mol
Monoisotopic Mass:
199.134g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Synonyms
 
9-[2-(Hydroxypropyl-d6] Adenine 
1020719-54-3 
CTK8F7455 
AKOS030243119 
J-000601 
9H-Purine-9-ethan-alpha,beta,beta-d3-ol, 6-amino-alpha-(methyl-d3)- 
Literature
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