Chemical ID: 3966211

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
Chemical ID:
3966211
Name [?]:
2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,15,2,13,3,12,4,11,5,10,6,9,23,16,22,17,21,18,20,19,7,14,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:23cCCCCCCOOCCCCCOCOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s9s13;s13;s15;s12;s11;s10;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:10
ZAP Information [?]
Total:-0.171357
Area:500.497
Solvation:-12.6838
Coulombic:-158.79
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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