Chemical ID: 5581566

Cc1cc(c(c(c1C(=O)Oc2cc(c(c(c2C)O)C(=O)OC)C)O)CO)O
Chemical ID:
5581566
Name [?]:
(3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 2,4-dihydroxy-3-(hydroxymethyl)-6-methyl-benzoate
SMILES [?]:
Cc1cc(c(c(c1C(=O)Oc2cc(c(c(c2C)O)C(=O)OC)C)O)CO)O
InChi [?]:
InChI=1/C19H20O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-6,20-23H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,17,22,3,12,25,2,13,16,5,4,11,14,7,15,6,19,8,26,27,18,24,20,9,21,10/rA:27nCCCCCCCCOOCCCCCCCOCOOCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s15;s14;d19;s19;s21;s13;s6;s5;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20O8
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.13839
Area:584.312
Solvation:-5.4694
Coulombic:-103.213
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:376.357
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:3.95
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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