Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

CAS

93841-74-8

Catalog Number

ACM93841748

Category

Other Products

Molecular Weight

705.089505 [g/mol]

Molecular Formula

C9H22N3Na6O15P5

MSDS COA Spec Sheet

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Specification

Synonyms

93841-74-8, hexasodium [10,10-dihydroxy-10-oxido-2,8-bis(phosphonatomethyl)-5-(phosphonomethyl)-2,5,8-triaza-10-phosphadec-1-yl]phosphonate, Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, hexasodium salt

IUPAC Name

hexasodium [2-[bis(phosphonatomethyl)amino]ethyl-[2-[phosphonatomethyl(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid

Canonical SMILES

C(CN(CP(=O)(O)O)CP(=O)([O-])[O-])N(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)(O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI Key

RGIYWVNNHVURLO-UHFFFAOYSA-H

EC Number

299-045-9

Exact Mass

704.91300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The molecular formula is C21H54N9Na6O81P27.

When was Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate created?

It was created on April 7, 2016.

What is the molecular weight of Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The molecular weight is 2702.9 g/mol.

How many hydrogen bond donor counts does Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate have?

It has 24 hydrogen bond donor counts.

What is the exact mass of Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The exact mass is 2702.2684915 g/mol.

How many rotatable bond counts are there in Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

There are 27 rotatable bond counts in the compound.

What is the topological polar surface area of Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The topological polar surface area is 1650 Å².

How many heavy atoms are there in Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

There are 144 heavy atoms in the compound.

Does Hexasodium tetrahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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