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Chemical ID: 6692069
Chemical ID:
6692069
Name [?]:
2-(10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl)-5,6-dimethoxy-3-methyl-pyridin-4-ol
SMILES [?]:
CC=C(C)C(C(C)C=C(C)C=CCC(=CCc1c(c(c(c(n1)OC)OC)O)C)C)O
InChi [?]:
InChI=1/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,10,4,7,28,26,24,2,12,13,11,15,16,8,14,9,3,6,18,17,5,19,20,21,22,30,27,25,23/rA:30cCCCCCCCCCCCCCCCCCCCCCNOCOCOCCO/rB:s1;w2;s3;s3;s5;s6;s6;w8;s9;s9;w11;s12;s13;w14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s18;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H37NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.2266 |
Area: | 709.512 |
Solvation: | -5.51125 |
Coulombic: | -58.877 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 4 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 415.566 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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