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Chemical ID: 4558809
Chemical ID:
4558809
Name [?]:
None
SMILES [?]:
CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
InChi [?]:
InChI=1/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,25,3,4,18,17,9,8,12,13,22,15,2,5,19,20,6,10,7,14,23,16,24,11/rA:25cCCCCCCCCCCOCCOCOCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s7s10;s10;s12;s13;s10;s15;s6;s17;s18;s5s19;s20;s20;s22;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H36O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 6.49038 |
Area: | 497.959 |
Solvation: | -5.95859 |
Coulombic: | -75.8136 |
Bond Count [?]
All: | 27 |
Single: | 27 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.497 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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