Chemical ID: 5221603

CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO
Chemical ID:
5221603
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO
InChi [?]:
InChI=1/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,7,6,3,22,13,2,18,4,10,9,11,8,5,12,23,19,16,14,17,15/rA:23cCCCCCCCCCCCCCOOOOCOCCCO/rB:s1;d2;s3;s4;s5;s2s6;s5;s8;s9;s10;s8s11;s12;s12s13;s4s11;s10;s9;s17;d18;s18;s8;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:7
ZAP Information [?]
Total:5.41165
Area:466.074
Solvation:-6.2402
Coulombic:-67.9074
Bond Count [?]
All:26
Single:24
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.369
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.07
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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