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Chemical ID: 4914238
Chemical ID:
4914238
Name [?]:
None
SMILES [?]:
CCC(=O)C12C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C
InChi [?]:
InChI=1/C13H20O6/c1-6-7(14)13-9(16-12(4,5)19-13)8-10(18-13)17-11(2,3)15-8/h8-10H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,14,18,19,2,3,7,6,8,11,16,5,4,12,15,10,9,17/E:(2,3)(4,5)/rA:19cCCCOCCCCOOCOCCOCOCC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s8;s10;s7s11;s11;s11;s6;s15;s5s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O6 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 3.94344 |
Area: | 413.717 |
Solvation: | -6.3995 |
Coulombic: | -52.048 |
Bond Count [?]
All: | 21 |
Single: | 20 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.294 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.73 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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