ChemDB: Chemical Search
Download
Chemical ID: 5788881
Chemical ID:
5788881
Name [?]:
2-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
SMILES [?]:
c1cc(ccc1N(=O)=O)OC2C(C(C(CO2)O)O)O
InChi [?]:
InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,6,3,14,13,12,11,7,17,18,19,8,9,16,10/E:(1,2)(3,4)(16,17)/CRV:12.5/rA:19cCCCCCCNOOOCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s3;s10;s11;s12;s13;s14;s11s15;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO7 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 0.342553 |
Area: | 433.759 |
Solvation: | -10.5014 |
Coulombic: | -79.3214 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.223 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.23 |
LogP (Chemaxon): | 0.62 |
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 |
---|