Chemical ID: 4084080

CC(=O)OC1C(C(C(O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4
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

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Experimental Annotations

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Descriptor Annotations

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