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Chemical ID: 6690902
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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