Chemical ID: 6693196

C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
Chemical ID:
6693196
Name [?]:
2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
SMILES [?]:
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)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/h1,4-12,14-21H,2-3H2
InChi Info:
AuxInfo=1/0/N:14,1,9,13,10,2,12,11,3,4,5,6,15,23,16,19,17,18,22,21,20,8,7/rA:23cCCCCCCOOCCCCCCOOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;d14;s13;s12;s11;s10;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:9
ZAP Information [?]
Total:-1.6141
Area:529.969
Solvation:-14.8633
Coulombic:-153.626
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:-4.86
LogP (Chemaxon):-3.72

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