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Chemical ID: 5817168
Chemical ID:
5817168
Name [?]:
[4,5-diacetoxy-2-(acetoxymethyl)-6-sulfanyl-tetrahydropyran-3-yl] acetate
SMILES [?]:
CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,20,16,5,2,22,18,14,6,7,8,9,10,3,23,19,15,4,21,17,13,11,12/rA:24cCCOOCCCCCCOSOCOCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s9;s13;d14;s14;s8;s17;d18;s18;s7;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O9S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.06902 |
Area: | 560.993 |
Solvation: | -6.9558 |
Coulombic: | -79.4664 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 0.43 |
LogP (Chemaxon): | -0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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