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Chemical ID: 4952250
Chemical ID:
4952250
Name [?]:
None
SMILES [?]:
CCCOC(=O)CC(CC(=O)OCCC)(C(=O)OCCC)OC(=O)C
InChi [?]:
InChI=1/C17H28O8/c1-5-8-22-14(19)11-17(25-13(4)18,16(21)24-10-7-3)12-15(20)23-9-6-2/h5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,21,25,2,14,20,3,13,19,7,9,23,5,10,16,8,24,6,11,17,4,12,18,22/E:(1,2)(5,6)(8,9)(11,12)(14,15)(19,20)(22,23)/rA:25nCCCOCOCCCCOOCCCCOOCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s10;s12;s13;s14;s8;d16;s16;s18;s19;s20;s8;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28O8 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0783 |
Area: | 618.741 |
Solvation: | -5.39023 |
Coulombic: | -71.3667 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 360.399 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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