Chemical ID: 5642657

CC(=O)NC1C(C(C(OC1OCc2ccccc2)CO)OC(=O)C)OC(=O)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue