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Chemical ID: 4580520
Chemical ID:
4580520
Name [?]:
5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-one
SMILES [?]:
C(C(C1C(C(C(=O)O1)O)O)O)O
InChi [?]:
InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,4,5,3,6,12,11,10,9,7,8/rA:12cCCCCCCOOOOOO/rB:s1;s2;s3;s4;s5;d6;s3s6;s5;s4;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 1.85894 |
Area: | 327.744 |
Solvation: | -6.33465 |
Coulombic: | -84.9378 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.14 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -2.06 |
LogP (Chemaxon): | -1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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