Chemical ID: 4773662

CC(=O)OCC1C(C(C(C(O1)Sc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C
Chemical ID:
4773662
Name [?]:
[4,5-diacetoxy-2-(acetoxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl] acetate
SMILES [?]:
CC(=O)OCC1C(C(C(C(O1)Sc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,26,22,16,15,17,14,18,5,2,28,24,20,13,6,7,8,9,10,3,29,25,21,4,27,23,19,11,12/E:(6,7)(8,9)/rA:30cCCOOCCCCCCOSCCCCCCOCOCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s12;s13;d14;s15;d16;d13s17;s9;s19;d20;s20;s8;s23;d24;s24;s7;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24O9S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:5
ZAP Information [?]
Total:9.31348
Area:655.929
Solvation:-7.08473
Coulombic:-79.9064
Bond Count [?]
All:31
Single:24
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:440.465
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:2.25
LogP (Chemaxon):1.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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