Chemical ID: 5860588

CC(=O)OCC1C(C(C(C(O1)Oc2ccccc2C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
Chemical ID:
5860588
Name [?]:
methyl 2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxybenzoate
SMILES [?]:
CC(=O)OCC1C(C(C(C(O1)Oc2ccccc2C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C22H26O12/c1-11(23)29-10-17-18(30-12(2)24)19(31-13(3)25)20(32-14(4)26)22(34-17)33-16-9-7-6-8-15(16)21(27)28-5/h6-9,17-20,22H,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,34,30,26,22,16,15,17,14,5,2,32,28,24,18,13,6,7,8,9,19,10,3,33,29,25,20,21,4,31,27,23,12,11/rA:34cCCOOCCCCCCOOCCCCCCCOOCOCOCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s9;s23;d24;s24;s8;s27;d28;s28;s7;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26O12
All Atoms:34
Heavy Atoms:34
Chiral Atoms:5
ZAP Information [?]
Total:8.07999
Area:701.006
Solvation:-9.44517
Coulombic:-104.393
Bond Count [?]
All:35
Single:27
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:482.435
H-Bond Donors:0
H-Bond Acceptors:12
XLogP:1.92
LogP (Chemaxon):0.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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