CAS
94021-18-8 Purity
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94021-18-8 Purity
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Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate
CAS
94021-26-8
Catalog Number
ACM94021268
Category
Other Products
Molecular Weight
489.501763 [g/mol]
Molecular Formula
C3H7K5NO9P3
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Specification
Synonyms
6419-19-8 (Parent), EINECS 301-419-4, Pentapotassium hydrogen (nitrilotris(methylene))trisphosphonate, 94021-26-8
IUPAC Name
pentapotassium [bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
SMILES
C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)(O)[O-].[K+].[K+].[K+].[K+].[K+]
InChI Key
XULKYUDWHAHGLR-UHFFFAOYSA-I
EC Number
301-419-4
H-Bond Acceptor
10
H-Bond Donor
1
What is the molecular formula of Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
The molecular formula is C3H7K5NO9P3.
When was the compound created and last modified?
The compound was created on August 20, 2009, and last modified on December 30, 2023.
What is the molecular weight of Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
The molecular weight is 489.50 g/mol.
What are some synonyms for Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
Some synonyms include EINECS 301-419-4, 94021-26-8, and DTXSID90240236.
What is the IUPAC name of Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
The IUPAC name is pentapotassium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate.
What is the InChIKey for Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
The InChIKey is XULKYUDWHAHGLR-UHFFFAOYSA-I.
How many hydrogen bond acceptors are there in the compound?
There are 10 hydrogen bond acceptors.
What is the topological polar surface area of Pentapotassium hydrogen[nitrilotris(methylene)]trisphosphonate?
The topological polar surface area is 190 Ų.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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