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Chemical ID: 5817179
Chemical ID:
5817179
Name [?]:
3,4-dihydroxy-5-(1,2,3-trihydroxypropyl)tetrahydrofuran-2-one
SMILES [?]:
C(C(C(C1C(C(C(=O)O1)O)O)O)O)O
InChi [?]:
InChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,3,5,6,4,7,14,13,12,11,10,8,9/rA:14cCCCCCCCOOOOOOO/rB:s1;s2;s3;s4;s5;s6;d7;s4s7;s6;s5;s3;s2;s1;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H12O7 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 0.731132 |
Area: | 358.829 |
Solvation: | -8.2396 |
Coulombic: | -100.541 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.166 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -2.73 |
LogP (Chemaxon): | -2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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