Chemical ID: 4219151

CC(C)CC(=O)OC1C(c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C
Chemical ID:
4219151
Name [?]:
None
SMILES [?]:
CC(C)CC(=O)OC1C(c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C
InChi [?]:
InChI=1/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,28,23,24,13,20,12,19,4,2,26,14,11,17,5,10,15,9,8,22,27,18,6,25,16,7,21/E:(1,2)(4,5)/rA:28cCCCCCOOCCCCCCCCOCOCCOCCCOCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s14d19;s11;s8s21;s22;s22;s9;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24O7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:9.12635
Area:545.135
Solvation:-4.50204
Coulombic:-63.5089
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.411
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):2.95

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