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Chemical ID: 6441159
Chemical ID:
6441159
Name [?]:
methyl 3-methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthyl)-naphthalene-2-carboxylate
SMILES [?]:
COc1c(cc2ccccc2c1c3c4ccccc4cc(c3OC)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C26H22O6/c1-29-23-19(25(27)31-3)13-15-9-5-7-11-17(15)21(23)22-18-12-8-6-10-16(18)14-20(24(22)30-2)26(28)32-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,32,28,8,17,9,16,7,18,10,15,5,20,6,19,11,14,4,21,12,13,3,22,29,25,30,26,2,23,31,27/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)(25,26)(27,28)(29,30)(31,32)/rA:32nCOCCCCCCCCCCCCCCCCCCCCOCCOOCCOOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;s22;s23;s21;d25;s25;s27;s4;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0471 |
Area: | 608.812 |
Solvation: | -5.17316 |
Coulombic: | -56.1443 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.2 |
LogP (Chemaxon): | 4.33 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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