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Chemical ID: 5767321
Chemical ID:
5767321
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C=O)OCCOCCOCCOc3cc(ccc3OCCOCCOCCO2)C=O
InChi [?]:
InChI=1/C26H32O10/c27-19-21-1-3-23-25(17-21)35-15-11-31-7-8-32-12-16-36-26-18-22(20-28)2-4-24(26)34-14-10-30-6-5-29-9-13-33-23/h1-4,17-20H,5-16H2
InChi Info:
AuxInfo=1/0/N:1,22,2,23,30,29,13,14,32,27,11,16,33,26,10,17,5,20,7,35,6,21,3,24,4,19,8,36,31,28,12,15,34,25,9,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/rA:36nCCCCCCCOOCCOCCOCCOCCCCCCOCCOCCOCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s3s33;s21;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32O10 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.28706 |
Area: | 763.225 |
Solvation: | -15.7936 |
Coulombic: | -74.4379 |
Bond Count [?]
All: | 38 |
Single: | 30 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 504.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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