Chemical ID: 4561779

CCCCCc1c(c(cc2c1Oc3cc(cc(c3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O
Chemical ID:
4561779
Name [?]:
None
SMILES [?]:
CCCCCc1c(c(cc2c1Oc3cc(cc(c3C(=O)O2)CC(=O)CCCCC)O)O)C(=O)O
InChi [?]:
InChI=1/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:29,1,28,2,27,3,26,4,25,5,22,16,14,9,17,23,15,6,8,13,10,18,7,11,32,19,24,30,31,33,34,20,12,21/E:(30,31)/rA:34nCCCCCCCCCCCOCCCCCCCOOCCOCCCCCOOCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s10s19;s17;s22;d23;s23;s25;s26;s27;s28;s15;s8;s7;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30O8
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.8456
Area:710.726
Solvation:-5.92259
Coulombic:-92.7439
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:470.512
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:6.61
LogP (Chemaxon):6.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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