Chemical ID: 6693442

C(C1C(C(C(O1)(CO)O)O)O)O
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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