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Chemical ID: 6693442
Chemical ID:
6693442
Name [?]:
2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol
SMILES [?]:
C(C1C(C(C(O1)(CO)O)O)O)O
InChi [?]:
InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,7,2,3,4,5,12,8,11,10,9,6/rA:12cCCCCCOCOOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;s5;s4;s3;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 1.89934 |
Area: | 327.787 |
Solvation: | -6.29534 |
Coulombic: | -93.7546 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.156 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -2.38 |
LogP (Chemaxon): | -1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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