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Chemical ID: 4742808
Chemical ID:
4742808
Name [?]:
2-(hydroxymethyl)-6-nonoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,17,15,14,13,12,11,18,19,20,21,10,16/rA:21cCCCCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H30O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.29805 |
Area: | 554.597 |
Solvation: | -6.56688 |
Coulombic: | -86.5081 |
Bond Count [?]
All: | 21 |
Single: | 21 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 306.395 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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