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Chemical ID: 5693376
Chemical ID:
5693376
Name [?]:
2-[6-amino-8-[(3,4-dimethoxyphenyl)methyleneaminoimino]-7H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
COc1ccc(cc1OC)C=NN=c2[nH]c3c(ncnc3n2C4C(C(C(O4)CO)O)O)N
InChi [?]:
InChI=1/C19H23N7O6/c1-30-10-4-3-9(5-11(10)31-2)6-23-25-19-24-13-16(20)21-8-22-17(13)26(19)18-15(29)14(28)12(7-27)32-18/h3-6,8,12,14-15,18,27-29H,7H2,1-2H3,(H,24,25)(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,7,11,28,19,6,3,8,26,16,25,24,17,21,23,14,32,18,20,12,15,13,22,29,30,31,2,9,27/rA:32cCOCCCCCCOCCNNCNCCNCNCNCCCCOCOOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s22;s23;s24;s25;s23s26;s26;s28;s25;s24;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N7O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 5.43183 |
Area: | 670.412 |
Solvation: | -11.3285 |
Coulombic: | -121.204 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 445.43 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 9 |
XLogP: | 1.37 |
LogP (Chemaxon): | 0.4 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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