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Chemical ID: 6692788
Chemical ID:
6692788
Name [?]:
2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
SMILES [?]:
C1C(OCC(O1)(CO)O)(CO)O
InChi [?]:
InChI=1/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
InChi Info:
AuxInfo=1/0/N:7,10,4,1,5,2,8,11,9,12,6,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12cCCOCCOCOOCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s5;s2;s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -0.956196 |
Area: | 319.051 |
Solvation: | -8.93248 |
Coulombic: | -81.7304 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.156 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -2.88 |
LogP (Chemaxon): | -0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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