ADA disodium salt

CAT: 0063-31449132-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-31449132-100gSize:100 g

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CAS Number

41689-31-0

Molecular Formula

H2NCOCH2N (CH2CO2Na) 2

Molecular Weight

234.12

Formulation

H2NCOCH2N (CH2CO2Na) 2

Chemical Information

Disodium ((2-amino-2-oxoethyl)(carboxylatomethyl)amino)acetate

CAS Number	41689-31-0
PubChem CID	44119928
IUPAC Name	disodium;2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)amino]acetate
Molecular Formula	C6H8N2Na2O5
Molecular Weight	234.12
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	200

SMILES

C(C(=O)N)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C6H10N2O5.2Na/c7-4(9)1-8(2-5(10)11)3-6(12)13;;/h1-3H2,(H2,7,9)(H,10,11)(H,12,13);;/q;2*+1/p-2

InChIKey

UFJHJSRPIBTMAS-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 41689-31-0

CID: 44119928

Formula: C6H8N2Na2O5

MW: 234.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	234.02285992
Monoisotopic Mass	234.02285992
Topological Polar Surface Area	127 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
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23048138	Pemetrexed disodium salt
24169145	Ticarcillin disodium salt
18528286	Cefotetan disodium salt
32113067-5g	Carbenicillin disodium salt
48108075-25g	POPSO Disodium salt
23048138-1g	Pemetrexed disodium salt
32274655	Phosphomycin disodium salt
28635108	PIPES Disodium salt
18528286-1g	Cefotetan disodium salt

Catalog	Name
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dNMP013-0.1	DCMP Disodium Salt
dNMP011-1	DUMP Disodium Salt
dNMP009-100	DGMP Disodium Salt
dNDP008-100	DTDP Disodium Salt
dNDP007-100	DCDP Disodium Salt