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Chemical ID: 6679929
Chemical ID:
6679929
Name [?]:
2-[carboxylatomethyl-[2-(4,8-dioxo-1,3-dioxa-6-aza-2$l^{2}-magnesacyclooct-6-yl)ethyl]amino]acetate
SMILES [?]:
C1C(=O)O[Mg]OC(=O)CN1CCN(CC(=O)[O-])CC(=O)[O-]
InChi [?]:
InChI=1/C10H16N2O8.Mg/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-4
InChi Info:
AuxInfo=1/1/N:11,12,1,9,14,18,2,7,15,19,10,13,3,4,6,8,16,17,20,21;5/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14,15,16,17,18,19,20);/gE:(1,2,3,4);/rA:21nCCOOMgOCOCNCCNCCOO-CCOO-/rB:s1;d2;s2;s4;s5;s6;d7;s7;s1s9;s10;s11;s12;s13;s14;d15;s15;s13;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12MgN2O8-2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.516 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | -2.81 |
LogP (Chemaxon): | -4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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