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Chemical ID: 4581087
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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