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Chemical ID: 5221603
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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