Chemical ID: 6046523

CC(=O)OCC1C(C(C(C(O1)F)F)OC(=O)C)OC(=O)C
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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