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Chemical ID: 6693777
Chemical ID:
6693777
Name [?]:
[4,5-diacetoxy-2-(acetoxymethyl)-6-methylsulfanyl-tetrahydropyran-3-yl] acetate
SMILES [?]:
CC(=O)OCC1C(C(C(C(O1)SC)OC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,25,21,17,13,5,2,23,19,15,6,7,8,9,10,3,24,20,16,4,22,18,14,11,12/rA:25cCCOOCCCCCCOSCOCOCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s12;s9;s14;d15;s15;s8;s18;d19;s19;s7;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22O9S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.69102 |
Area: | 584.826 |
Solvation: | -6.92964 |
Coulombic: | -78.2953 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 378.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 0.8 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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