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Chemical ID: 6506783
Chemical ID:
6506783
Name [?]:
methyl 2-amino-2-(6-aminopurin-9-yl)-acetate
SMILES [?]:
COC(=O)C(N)n1cnc2c1ncnc2N
InChi [?]:
InChI=1/C8H10N6O2/c1-16-8(15)6(10)14-3-13-4-5(9)11-2-12-7(4)14/h2-3,6H,10H2,1H3,(H2,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,13,8,10,15,5,11,3,16,6,14,12,9,7,4,2/rA:16cCOCOCNNCNCCNCNCN/rB:s1;s2;d3;s3;s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N6O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53441 |
Area: | 382.275 |
Solvation: | -3.02245 |
Coulombic: | -70.9289 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 222.204 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.87 |
LogP (Chemaxon): | -0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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