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Chemical ID: 4742807
Chemical ID:
4742807
Name [?]:
2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,16,14,13,12,11,10,17,18,19,20,9,15/rA:20cCCCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s14;s16;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H28O6 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 6.66128 |
Area: | 528.914 |
Solvation: | -6.56157 |
Coulombic: | -86.2021 |
Bond Count [?]
All: | 20 |
Single: | 20 |
Double: | 0 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.369 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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