ChemDB: Chemical Search
Download
Chemical ID: 5642657
Chemical ID:
5642657
Name [?]:
[3-acetamido-5-acetoxy-2-benzyloxy-6-(hydroxymethyl)tetrahydropyran-4-yl] acetate
SMILES [?]:
CC(=O)NC1C(C(C(OC1OCc2ccccc2)CO)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C19H25NO8/c1-11(22)20-16-18(27-13(3)24)17(26-12(2)23)15(9-21)28-19(16)25-10-14-7-5-4-6-8-14/h4-8,15-19,21H,9-10H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,28,16,15,17,14,18,19,12,2,22,26,13,8,5,7,6,10,4,20,3,23,27,11,21,25,9/E:(5,6)(7,8)/rA:28cCCONCCCCOCOCCCCCCCCOOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s8;s19;s7;s21;d22;s22;s6;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NO8 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.16705 |
Area: | 617.571 |
Solvation: | -8.27223 |
Coulombic: | -88.8685 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.03 |
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 |
---|