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CAS No.: | 49722-90-9 |
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Name: | 6-Amino-2-hydroxypurine |
Molecular Structure: | |
Formula: | C5H7N5O5S |
Molecular Weight: | 249.2046 |
Synonyms: | 6-amino-3,5-dihydropurin-2-one; sulfuric acid;6-amino-1,7-dihydropurin-2-one; sulfuric acid;2H-Purin-2-one, 6-amino-1,3-dihydro-, sulfate (2:1);iso-Guaninesulfate; |
Boiling Point: | 791.4°C at 760 mmHg |
Flash Point: | 432.4°C |
Appearance: | White fine crystals |
PSA: | 284.40000 |
LogP: | 0.87180 |
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The 6-Amino-2-hydroxypurine, with the CAS registry number 49722-90-9, has the systematic name of 6-amino-3,5-dihydro-2H-purin-2-one sulfate (1:1). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H7N5O5S.
The characteristics of 6-Amino-2-hydroxypurine are as followings: (1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 60.63 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)O.O=C1/N=C(/N)C2/N=C\N=C2\N1
(2)InChI: InChI=1/C5H5N5O.H2O4S/c6-3-2-4(8-1-7-2)10-5(11)9-3;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10,11);(H2,1,2,3,4)
(3)InChIKey: MLQBXCNBLDMZGC-UHFFFAOYAF