Chemical ID: 4558809

CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
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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