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Chemical ID: 6046523
Chemical ID:
6046523
Name [?]:
[4-acetoxy-2-(acetoxymethyl)-5,6-difluoro-tetrahydropyran-3-yl] acetate
SMILES [?]:
CC(=O)OCC1C(C(C(C(O1)F)F)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C12H16F2O7/c1-5(15)18-4-8-10(19-6(2)16)11(20-7(3)17)9(13)12(14)21-8/h8-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,17,5,2,19,15,6,9,7,8,10,13,12,3,20,16,4,18,14,11/rA:21cCCOOCCCCCCOFFOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s9;s8;s14;d15;s15;s7;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16F2O7 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.26305 |
Area: | 481.777 |
Solvation: | -7.78138 |
Coulombic: | -68.0601 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.248 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 0.82 |
LogP (Chemaxon): | -0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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