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Chemical ID: 6915819
Chemical ID:
6915819
Name [?]:
2,3,4,5-tetrahydroxy-2-(hydroxymethyl)pentanoic acid
SMILES [?]:
C(C(C(C(CO)(C(=O)O)O)O)O)O
InChi [?]:
InChI=1/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,7,4,13,6,12,11,8,9,10/E:(11,12)/rA:13cCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s5;s4;d7;s7;s4;s3;s2;s1;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O7 |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 0.28266 |
Area: | 339.407 |
Solvation: | -8.20251 |
Coulombic: | -108.978 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 196.155 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 7 |
XLogP: | -4.09 |
LogP (Chemaxon): | -2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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