Chemical ID: 6046554

CC1C(C(C(C(O1)OC2C(C(OC(C2O)O)CO)O)O)O)O
Chemical ID:
6046554
Name [?]:
2-methyl-6-[2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CC1C(C(C(C(O1)OC2C(C(OC(C2O)O)CO)O)O)O)O
InChi [?]:
InChI=1/C12H22O10/c1-3-5(14)7(16)8(17)12(20-3)22-10-6(15)4(2-13)21-11(19)9(10)18/h3-19H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,2,11,3,10,4,5,14,9,13,6,18,22,19,21,20,15,16,7,12,8/rA:22cCCCCCCOOCCCOCCOOCOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s9s13;s14;s13;s11;s17;s10;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O10
All Atoms:22
Heavy Atoms:22
Chiral Atoms:10
ZAP Information [?]
Total:0.196227
Area:490.419
Solvation:-12.0642
Coulombic:-141.304
Bond Count [?]
All:23
Single:23
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.297
H-Bond Donors:7
H-Bond Acceptors:10
XLogP:-3.17
LogP (Chemaxon):-2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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