Chemical ID: 6690902

C1C(C(C(C(O1)(CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O
Chemical ID:
6690902
Name [?]:
2-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,4-triol
SMILES [?]:
C1C(C(C(C(O1)(CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)23-5-2-21-12(20,3-14)10(19)7(5)16/h4-11,13-20H,1-3H2
InChi Info:
AuxInfo=1/0/N:19,1,7,17,2,16,3,15,14,4,13,5,20,8,21,11,22,23,10,9,6,18,12/rA:23cCCCCCOCOOOOOCCCCCOCOOOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s5;s4;s3;s2;s12;s13;s14;s15;s16;s13s17;s17;s19;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:9
ZAP Information [?]
Total:1.25233
Area:490.662
Solvation:-11.0142
Coulombic:-161.787
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:-4.13
LogP (Chemaxon):-2.47

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