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Chemical ID: 6692125
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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