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Chemical ID: 4514815
Chemical ID:
4514815
Name [?]:
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N
InChi [?]:
InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:11,15,1,8,12,13,10,4,3,5,18,2,6,9,7,16,17,14/rA:18cCNCCCNNCNCCCCOCOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.40222 |
Area: | 419.615 |
Solvation: | -5.08816 |
Coulombic: | -80.5699 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.242 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.82 |
LogP (Chemaxon): | -0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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