ChemDB: Chemical Search
Download
Chemical ID: 5113171
Chemical ID:
5113171
Name [?]:
2-(6-aminopurin-9-yl)-4-(hydroxymethyl)tetrahydrofuran-3-ol
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(CO3)CO)O)N
InChi [?]:
InChI=1/C10H13N5O3/c11-8-6-9(13-3-12-8)15(4-14-6)10-7(17)5(1-16)2-18-10/h3-5,7,10,16-17H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:15,13,1,8,12,4,11,3,5,10,18,2,6,9,7,16,17,14/rA:18cCNCCCNNCNCCCCOCOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s12;s15;s11;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.44913 |
Area: | 413.527 |
Solvation: | -3.88905 |
Coulombic: | -82.1935 |
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: | -0.98 |
LogP (Chemaxon): | -0.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|