Chemical ID: 6918587

CC(C)(C1Cc2c(cc3c(c2OC)c(=O)cc(o3)CO)O1)O
Chemical ID:
6918587
Name [?]:
None
SMILES [?]:
CC(C)(C1Cc2c(cc3c(c2OC)c(=O)cc(o3)CO)O1)O
InChi [?]:
InChI=1/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,16,5,8,19,17,6,14,7,9,4,10,11,2,20,15,22,12,18,21/E:(1,2)/rA:22cCCCCCCCCCCCOCCOCCOCOOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s10;d14;s14;d16;s9s17;s17;s19;s4s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18O6
All Atoms:40
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:4.72569
Area:477.346
Solvation:-7.20796
Coulombic:-60.9715
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.311
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.76
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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