Chemical ID: 4581087

C1C(C(C(C(O1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
Chemical ID:
4581087
Name [?]:
2-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol
SMILES [?]:
C1C(C(C(C(O1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2
InChi Info:
AuxInfo=1/0/N:17,1,7,2,15,3,14,13,12,4,11,5,18,8,23,22,19,20,21,9,6,16,10/rA:23cCCCCCOCOOOCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s5;s4;s10;s11;s12;s13;s14;s11s15;s15;s17;s14;s13;s12;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:9
ZAP Information [?]
Total:0.99787
Area:486.406
Solvation:-11.1623
Coulombic:-161.511
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:-4.56
LogP (Chemaxon):-2.47

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Experimental Annotations

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Descriptor Annotations

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