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Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate), sodium salt (1:2)

HCID 172003
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Basic information

CAS
67924-17-8
Standard SMILES
O=P([O-])(O)OCCN(CCOP(=O)([O-])O)CCOP(=O)(O)O.[Na+].[Na+]
InChIKey
AGUABLZXGGKNMP-UHFFFAOYSA-L
Molecular formula
C6H16NNa2O12P3
Average molar mass
433.09 g/mol
Monoisotopic mass
432.9680745

Names & identifiers

Preferred name
Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate), sodium salt (1:2)
IUPAC
disodium;2-[2-[hydroxy(oxido)phosphoryl]oxyethyl-(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate

Names & synonyms

67924-17-8EINECS 267-802-2Triethanolaminetriphosphate ester, disodium saltEthanol, 2,2',2''-nitrilotris-, tris(dihydrogen phosphate) (ester), disodium saltEthanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate), sodium salt (1:2)RefChem:138206Sodium ((2-(phosphonooxy)ethyl)azanediyl)bis(ethane-2,1-diyl) bis(hydrogen phosphate)Disodium 2,2',2''-nitrilotrisethyl tetrahydrogen triphosphate

Database identifiers

CAS
67924-17-8
PubChem CID
172003
EC Number
267-802-2

Properties

Computed structural properties

Topological polar surface area
209 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
13
Rotatable bonds
12
Heavy atoms
24
Formal charge
0
Complexity
419

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate), sodium salt (1:2): ACTIVE

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Compound notes

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