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Chemical ID: 6046723
Chemical ID:
6046723
Name [?]:
(2,3,4,5-tetrahydroxy-6-oxo-hexanoyl)oxysodium
SMILES [?]:
C(=O)C(C(C(C(C(=O)O[Na])O)O)O)O
InChi [?]:
InChI=1/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,5,6,7,2,14,13,12,11,8,9;10/E:(12,13);/rA:14cCOCCCCCOONaOOOO/rB:d1;s1;s3;s4;s5;s6;d7;s7;s9;s6;s5;s4;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H9NaO7 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 216.121 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -3.14 |
LogP (Chemaxon): | -2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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