Chemical ID: 6692788

C1C(OCC(O1)(CO)O)(CO)O
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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