ChemDB: Chemical Search
Download
Chemical ID: 6460247
Chemical ID:
6460247
Name [?]:
N-[8,10-dihydroxy-3-(4-methoxyphenyl)-2,4,7-trioxabicyclo[4.4.0]dec-9-yl]acetamide
SMILES [?]:
CC(=O)NC1C(C2C(COC(O2)c3ccc(cc3)OC)OC1O)O
InChi [?]:
InChI=1/C16H21NO7/c1-8(18)17-12-13(19)14-11(23-15(12)20)7-22-16(24-14)9-3-5-10(21-2)6-4-9/h3-6,11-16,19-20H,7H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,14,18,15,17,9,2,13,16,8,5,6,7,22,11,4,3,24,23,19,10,21,12/E:(3,4)(5,6)/rA:24cCCONCCCCCOCOCCCCCCOCOCOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s8;s5s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO7 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 4.67519 |
Area: | 518.24 |
Solvation: | -8.28081 |
Coulombic: | -86.7484 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.34 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.13 |
LogP (Chemaxon): | -0.04 |
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 |
---|