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Chemical ID: 6684229

C1C(=O)O[Mg]OC(=O)CN1CCN(CC(=O)O[Na])CC(=O)O[Na]

Chemical ID:

6684229

Name [?]:

[2-[2-(4,8-dioxo-1,3-dioxa-6-aza-2$l^{2}-magnesacyclooct-6-yl)ethyl-(sodiooxycarbonylmethyl)amino]acetyl]oxysodium

SMILES [?]:

C1C(=O)O[Mg]OC(=O)CN1CCN(CC(=O)O[Na])CC(=O)O[Na]

InChi [?]:

InChI=1/C10H16N2O8.Mg.2Na/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;2*+1/p-4

InChi Info:

AuxInfo=1/1/N:11,12,1,9,14,19,2,7,15,20,10,13,3,4,6,8,16,17,21,22;5;18;23/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:23nCCOOMgOCOCNCCNCCOONaCCOONa/rB:s1;d2;s2;s4;s5;s6;d7;s7;s1s9;s10;s11;s12;s13;s14;d15;s15;s17;s13;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₂MgN₂Na₂O₈
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	0.0
Area:	0.0
Solvation:	0.0
Coulombic:	0.0

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	358.496
H-Bond Donors:	0
H-Bond Acceptors:	10
XLogP:	-1.8
LogP (Chemaxon):	-1.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value