Chemical ID: 5584612

c1cc2c(cc1C=O)OCCOCCOc3cc(ccc3OCCOCCO2)C=O
Chemical ID:
5584612
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C=O)OCCOCCOc3cc(ccc3OCCOCCO2)C=O
InChi [?]:
InChI=1/C22H24O8/c23-15-17-1-3-19-21(13-17)29-11-7-26-8-12-30-22-14-18(16-24)2-4-20(22)28-10-6-25-5-9-27-19/h1-4,13-16H,5-12H2
InChi Info:
AuxInfo=1/0/N:1,19,2,20,26,24,11,13,27,23,10,14,5,17,7,29,6,18,3,21,4,16,8,30,25,12,28,22,9,15/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)(27,28)(29,30)/rA:30nCCCCCCCOOCCOCCOCCCCCCOCCOCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s25;s26;s3s27;s18;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24O8
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:2.00538
Area:607.775
Solvation:-13.189
Coulombic:-56.9696
Bond Count [?]
All:32
Single:24
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:416.421
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.3
LogP (Chemaxon):1.75

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Experimental Annotations

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Descriptor Annotations

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