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Chemical ID: 3964731
Chemical ID:
3964731
Name [?]:
2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
C(C1C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,7,2,5,3,4,11,8,10,9,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:11cCCCCCOCOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;s4;s3;s1;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O5 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 0.015232 |
Area: | 315.163 |
Solvation: | -7.86385 |
Coulombic: | -72.7056 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.156 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -2.02 |
LogP (Chemaxon): | -1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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