ChemDB: Chemical Search
Download
Chemical ID: 6507562
Chemical ID:
6507562
Name [?]:
[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(hydroxy-oxido-phosphoryl)oxy-phosphinic acid
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)[O-])O)O)N
InChi [?]:
InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,27,2,6,9,7,25,26,22,23,24,18,19,16,14,20,21,17/E:(18,19,20)(21,22)/rA:27cCNCCCNNCNCCCCOCOPOOOPOOO-OON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s20;d21;s21;s21;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N5O10P2- |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | -32.2193 |
Area: | 579.792 |
Solvation: | -46.7141 |
Coulombic: | -139.25 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 426.193 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 11 |
XLogP: | -4.3 |
LogP (Chemaxon): | -6.08 |
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 |
---|