Chemical ID: 6693777

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