CAS
94200-60-9 Purity
96%
94200-60-9 Purity
96%
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N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid
CAS
94200-64-3
Catalog Number
ACM94200643
Category
Other Products
Molecular Weight
321.115642 [g/mol]
Molecular Formula
C6H13NO10P2
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Specification
Synonyms
EINECS 303-542-9, N-(Bis(phosphono)methyl)-N-methyl-L-aspartic acid, 94200-64-3
IUPAC Name
(2S)-2-[diphosphonomethyl(methyl)amino]butanedioic acid
Canonical SMILES
CN(C(CC(=O)O)C(=O)O)C(P(=O)(O)O)P(=O)(O)O
InChI Key
VMSJBJKSLZOBJT-VKHMYHEASA-N
EC Number
303-542-9
Exact Mass
321.00100
H-Bond Acceptor
11
H-Bond Donor
6
What is the molecular formula of N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The molecular formula is C6H13NO10P2.
When was N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid created in PubChem?
It was created on August 20, 2009.
What is the molecular weight of N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The molecular weight is 321.12 g/mol.
What is the IUPAC name of N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The IUPAC name is (2S)-2-[diphosphonomethyl(methyl)amino]butanedioic acid.
What is the InChIKey for N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The InChIKey is VMSJBJKSLZOBJT-VKHMYHEASA-N.
How many hydrogen bond donor counts does N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid have?
It has 6 hydrogen bond donor counts.
What is the XLogP3-AA value for N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The XLogP3-AA value is -6.3.
How many rotatable bond counts does N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid have?
It has 7 rotatable bond counts.
What is the topological polar surface area of N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid?
The topological polar surface area is 193?2.
Is N-[Bis-(phosphono)methyl]-N-metyl-L-aspartic acid considered as a canonicalized compound in PubChem?
Yes, it is considered a canonicalized compound in PubChem.
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