CAS
93919-60-9 Purity
96%
93919-60-9 Purity
96%
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Pentaammonium pentahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
CAS
93919-70-1
Catalog Number
ACM93919701
Category
Other Products
Molecular Weight
658.351130 [g/mol]
Molecular Formula
C9H43N8O15P5
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Specification
Synonyms
EINECS 300-053-2, 93919-70-1, Pentaammonium pentahydrogen (((phosphonatomethyl)imino)bis(ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
IUPAC Name
pentaazanium;N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N,N-tris(phosphonatomethyl)ethane-1,2-diamine;hydron
InChI Key
UUQGMDZBPMYQTE-UHFFFAOYSA-N
Boiling Point
1117.6ºC at 760mmHg
Flash Point
629.7ºC
Exact Mass
658.15400
H-Bond Acceptor
18
H-Bond Donor
5
What is the molecular formula of the compound Pentaammonium pentahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?
The molecular formula is C35H120N20O135P45.
When was the compound created and last modified?
The compound was created on 2015-02-16 and last modified on 2023-12-30.
What is the molecular weight of Pentaammonium pentahydrogen[[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate?
The molecular weight is 4375.2 g/mol.
How is the compound represented in InChI format?
InChI=1S/5C5H12N3O3P.10CH8O12P4.5H3N/c5*6-1-3-8(4-2-7)5-12(9,10)11;10*2-14(3,4)1(15(5,6)7,16(8,9)10)17(11,12)13;;;;;/h5*1-5H2,(H2,9,10,11);10*(H2,2,3,4)(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);5*1H3/p-35.
What is the InChIKey of the compound?
The InChIKey is UIQATVINWKDXRU-UHFFFAOYSA-A.
How many hydrogen bond donor counts does the compound have?
The compound has 55 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 150 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 2730?2.
How many heavy atoms are present in the compound?
There are 235 heavy atoms present.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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