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Chemical ID: 6682710
Chemical ID:
6682710
Name [?]:
(2-hydroxy-3-sodiooxycarbonyl-propanoyl)oxysodium
SMILES [?]:
C(C(C(=O)O[Na])O)C(=O)O[Na]
InChi [?]:
InChI=1/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChi Info:
AuxInfo=1/1/N:1,2,8,3,7,9,10,4,5;6;11/E:(6,7)(8,9);;/rA:11cCCCOONaOCOONa/rB:s1;s2;d3;s3;s5;s2;s1;d8;s8;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H4Na2O5 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 29.6714 |
Area: | 318.391 |
Solvation: | 21.7116 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 178.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -1.43 |
LogP (Chemaxon): | -0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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