Chemical ID: 6692125

CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C
Chemical ID:
6692125
Name [?]:
None
SMILES [?]:
CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C
InChi [?]:
InChI=1/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,19,3,11,20,15,2,22,12,4,7,6,13,10,5,14,23,18,8,9,21,16,17/rA:24cCCCCCCCOOCCCCCCOOOCCOCOC/rB:s1;d2;s3;s4;s5;s2s6;d7;s6;s5;s10;s11;s12;s10s13;s14;s14s15;s4s13;s12;s10;s5;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22O7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:7
ZAP Information [?]
Total:4.58562
Area:478.143
Solvation:-7.36795
Coulombic:-74.5272
Bond Count [?]
All:27
Single:24
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.352
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.44
LogP (Chemaxon):-0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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