Chemical ID: 6694087

C(C1C(C(C(C(O1)OCC(C(C(C(=O)CO)O)O)O)O)O)O)O
Chemical ID:
6694087
Name [?]:
1,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexan-2-one
SMILES [?]:
C(C1C(C(C(C(O1)OCC(C(C(C(=O)CO)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2
InChi Info:
AuxInfo=1/0/N:15,1,9,13,10,2,12,11,3,4,5,6,16,23,14,19,17,18,22,21,20,8,7/rA:23cCCCCCCOOCCCCCOCOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;d13;s13;s15;s12;s11;s10;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:8
ZAP Information [?]
Total:-2.09312
Area:532.458
Solvation:-15.4046
Coulombic:-153.581
Bond Count [?]
All:23
Single:22
Double:1
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:342.296
H-Bond Donors:8
H-Bond Acceptors:11
XLogP:-5.38
LogP (Chemaxon):-2.94

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