ChemDB: Chemical Search
Download
Chemical ID: 4743394
Chemical ID:
4743394
Name [?]:
2-(6-aminopurin-9-yl)-5-methyl-tetrahydrofuran-3,4-diol
SMILES [?]:
CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
InChi [?]:
InChI=1/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,8,2,10,3,4,15,11,5,16,14,12,9,7,18,17,6/rA:18cCCCCCONCNCCNCNCNOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 5.30364 |
Area: | 402.464 |
Solvation: | -4.75796 |
Coulombic: | -81.355 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 251.242 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.71 |
LogP (Chemaxon): | -0.33 |
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 |
---|