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Chemical ID: 5218748
Chemical ID:
5218748
Name [?]:
6-(ethoxymethyl)tetrahydropyran-2,3,4,5-tetrol
SMILES [?]:
CCOCC1C(C(C(C(O1)O)O)O)O
InChi [?]:
InChI=1/C8H16O6/c1-2-13-3-4-5(9)6(10)7(11)8(12)14-4/h4-12H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,5,6,7,8,9,14,13,12,11,3,10/rA:14cCCOCCCCCCOOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s9;s8;s7;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16O6 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 1.73253 |
Area: | 367.336 |
Solvation: | -7.45087 |
Coulombic: | -82.9579 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.209 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -1.61 |
LogP (Chemaxon): | -1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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