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Chemical ID: 4558248
Chemical ID:
4558248
Name [?]:
None
SMILES [?]:
CCOC(=O)COc1cc2c(c(c1)OCC(=O)OCC)c3c(c(=O)o2)CCC3
InChi [?]:
InChI=1/C20H22O8/c1-3-24-17(21)10-26-12-8-15(27-11-18(22)25-4-2)19-13-6-5-7-14(13)20(23)28-16(19)9-12/h8-9H,3-7,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,19,27,28,26,13,9,6,15,8,21,22,12,10,4,16,11,23,5,17,24,3,18,7,14,25/rA:28nCCOCOCOCCCCCCOCCOOCCCCCOOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;s19;s11;d21;s22;d23;s10s23;s22;s26;s21s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22O8 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32022 |
Area: | 626.453 |
Solvation: | -6.3411 |
Coulombic: | -70.2426 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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