Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate

CAS

93858-92-5

Catalog Number

ACM93858925

Category

Other Products

Molecular Weight

1154.726568 [g/mol]

Molecular Formula

C18H82N16O24P8

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 299-327-1, 93858-92-5, Decaammonium (2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl)bisphosphonate

IUPAC Name

decaazanium [2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[2-[2-[2-[2-[bis(phosphonatomethyl)amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl]amino

Canonical SMILES

C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)(O)O)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI Key

UNXOCSVEXXRGTE-UHFFFAOYSA-N

EC Number

299-327-1

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The molecular formula is C90H240N40O120P40.

When was Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate created and modified?

It was created on 2015-02-16 and modified on 2023-12-30.

What is the molecular weight of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The molecular weight is 5042.0 g/mol.

What are the synonyms for Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The synonyms are Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate.

What is the IUPAC name of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The IUPAC name is decaazanium;[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl-[2-[phosphonatomethyl(phosphonomethyl)amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]methylphosphonic acid.

What is the InChI of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The InChI is InChI=1S/5C18H52N6O24P8.10H3N.

What is the InChIKey of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The InChIKey is ZGJGHQKCASGKMQ-UHFFFAOYSA-A.

How many hydrogen bond donor counts does Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate have?

It has 30 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The hydrogen bond acceptor count is 150.

What is the topological polar surface area of Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate?

The topological polar surface area is 2580 Å^2.