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6-Amino-2-hydroxypurine

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Name

6-Amino-2-hydroxypurine

EINECS N/A
CAS No. 49722-90-9 Density N/A
PSA 284.40000 LogP 0.87180
Solubility N/A Melting Point N/A
Formula C5H7N5O5S Boiling Point 791.4°C at 760 mmHg
Molecular Weight 249.2046 Flash Point 432.4°C
Transport Information N/A Appearance White fine crystals
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 49722-90-9 (6-Amino-2-hydroxypurine) Hazard Symbols N/A
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;

 

6-Amino-2-hydroxypurine Specification

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

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