Chemical ID: 4559267

C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
Chemical ID:
4559267
Name [?]:
6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
SMILES [?]:
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,9,2,10,3,11,12,4,13,5,14,6,23,22,19,18,21,17,20,16,8,15,7/rA:23cCCCCCCOOCCCCCCOOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s10s14;s14;s13;s12;s11;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:10
ZAP Information [?]
Total:-0.827424
Area:508.477
Solvation:-13.5394
Coulombic:-157.344
Bond Count [?]
All:24
Single:24
Double:0
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.296
H-Bond Donors:8
H-Bond Acceptors:11
XLogP:-4.09
LogP (Chemaxon):-2.98

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