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Chemical ID: 4084080
Chemical ID:
4084080
Name [?]:
(5-acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoate
SMILES [?]:
CC(=O)OC1C(C(C(O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,26,35,16,18,25,27,34,36,15,19,24,28,33,37,10,2,14,23,32,8,7,6,12,21,30,5,3,13,22,31,11,4,9,20,29/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:37cCCOOCCCCOCOCOCCCCCCOCOCCCCCCOCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s5s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s7;s20;d21;s21;s23;d24;s25;d26;d23s27;s6;s29;d30;s30;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24O9 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 13.4408 |
Area: | 767.272 |
Solvation: | -5.74096 |
Coulombic: | -91.2613 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 504.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.32 |
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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