ChemDB: Chemical Search
Download
Chemical ID: 5196491
Chemical ID:
5196491
Name [?]:
2-(6-butylaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
CCCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C14H21N5O4/c1-2-3-4-15-12-9-13(17-6-16-12)19(7-18-9)14-11(22)10(21)8(5-20)23-14/h6-8,10-11,14,20-22H,2-5H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,20,10,13,18,7,17,16,6,8,15,5,11,9,14,12,21,22,23,19/rA:23cCCCCNCCCNCNNCNCCCCOCOOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s8;s12;s7d13;s12;s15;s16;s17;s15s18;s18;s20;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N5O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.32452 |
Area: | 531.821 |
Solvation: | -6.97101 |
Coulombic: | -93.421 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.348 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.18 |
LogP (Chemaxon): | 0.45 |
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 |
---|