Chemical ID: 5817168

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