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Chemical ID: 6692979
Chemical ID:
6692979
Name [?]:
2-(hydroxymethyl)-5-[6-(4-hydroxy-3-methyl-butyl)aminopurin-9-yl]-tetrahydrofuran-3,4-diol
SMILES [?]:
CC(CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)CO
InChi [?]:
InChI=1/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,20,10,13,2,18,7,17,16,6,8,15,5,11,9,14,12,25,21,22,23,19/rA:25cCCCCNCCCNCNNCNCCCCOCOOOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s8;s12;s7d13;s12;s15;s16;s17;s15s18;s18;s20;s17;s16;s2;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N5O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 5.84786 |
Area: | 566.554 |
Solvation: | -8.31598 |
Coulombic: | -109.449 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.374 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -0.86 |
LogP (Chemaxon): | -0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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