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Chemical ID: 6313802
Chemical ID:
6313802
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H27NO8/c1-3-33-19-14-16(6-9-18(19)27)21-20(22(28)15-4-7-17(31-2)8-5-15)23(29)24(30)25(21)10-12-32-13-11-26/h4-9,14,21,26-27,29H,3,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,27,31,7,28,30,8,17,21,18,20,5,26,6,29,9,4,12,11,24,13,14,16,22,10,25,23,15,32,19,3/E:(4,5)(7,8)/rA:33cCCOCCCCCCOCCCCONCCOCCOOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s13;s12;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO8 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.99665 |
Area: | 681.96 |
Solvation: | -10.0524 |
Coulombic: | -96.6578 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 457.473 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.17 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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