ChemDB: Chemical Search
Download
Chemical ID: 4558279
Chemical ID:
4558279
Name [?]:
2-amino-3-(6-aminopurin-9-yl)-propanoic acid
SMILES [?]:
c1nc(c2c(n1)n(cn2)CC(C(=O)O)N)N
InChi [?]:
InChI=1/C8H10N6O2/c9-4(8(15)16)1-14-3-13-5-6(10)11-2-12-7(5)14/h2-4H,1,9H2,(H,15,16)(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:10,1,8,11,4,3,5,12,15,16,2,6,9,7,13,14/E:(15,16)/rA:16cCNCCCNNCNCCCOONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;d12;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N6O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.7947 |
Area: | 388.565 |
Solvation: | -2.91944 |
Coulombic: | -77.7123 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 222.204 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 4 |
XLogP: | -3.49 |
LogP (Chemaxon): | -3.38 |
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 |
---|