Chemical ID: 6046563

C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
Chemical ID:
6046563
Name [?]:
6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:17,1,15,2,14,3,13,12,5,4,6,11,18,23,19,22,20,21,9,8,7,16,10/rA:23cCCCCCCOOOOCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;s4;s10;s11;s12;s13;s14;s11s15;s15;s17;s14;s13;s12;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:10
ZAP Information [?]
Total:0.059816
Area:501.975
Solvation:-12.4896
Coulombic:-158.582
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue