Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

CAS

93919-79-0

Catalog Number

ACM93919790

Category

Other Products

Molecular Weight

1265.92121

Molecular Formula

C₁₂H₃₆N₄O₁₈P₆.1₂Na

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 300-063-7, 93919-79-0, Dodecasodium (ethane-1,2-diylbis(((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate

IUPAC Name

dodecasodium;N,N-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N-bis(phosphonatomethyl)ethane-1,2-diamine

Canonical SMILES

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

InChI Key

NPHCVKSRPFWDEI-UHFFFAOYSA-B

Density

g/cm³

EC Number

300-063-7

Exact Mass

973.82800

H-Bond Acceptor

H-Bond Donor

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

The molecular formula is C10H24N4Na12O30P10.

When was Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate created and modified?

It was created on 2016-01-08 and last modified on 2023-12-30.

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

The molecular weight is 1265.92 g/mol.

What are the component compounds of Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The component compounds are Sodium, Triphosphonomethylphosphonic acid, and CID 90477636.

What is the InChIKey for Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

The InChIKey is SEQMGQGOBFJLKX-UHFFFAOYSA-B.

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

It has 8 hydrogen bond donor counts.

What is the hydrogen bond acceptor count for Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?

It has 34 hydrogen bond acceptor counts.

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

There are 13 rotatable bond counts.

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

The exact mass is 1265.6623867 g/mol.

Is Dodecasodium[ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate's compound canonicalized?

Yes, the compound is canonicalized.

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