N-phosphonacetyl-L-aspartate - ≥98% , CAS No.51321-79-0

CAS: 51321-79-0 Cat. No.: N693981 PubChem CID: 39981
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
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5mg
N693981-5mg
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10mg
N693981-10mg
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50mg
N693981-50mg
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100mg
N693981-100mg
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
Canonical SmilesC(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O
IUPAC Name(2S)-2-[(2-phosphonoacetyl)amino]butanedioic acid
InChIKeyZZKNRXZVGOYGJT-VKHMYHEASA-N
INCHI1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
Isomeric SMILES C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O
Alternate CAS 51321-79-0,60342-56-5 (tetra-hydrochloride salt)
PubChem CID 39981
MeSH Entry Terms l-aspartic acid, n-(2-phosphonoacetyl)-;N-(phosphonacetyl)-L-aspartate;N-(phosphonoacetyl)-L-aspartate;n-(phosphonoacetyl)-l-aspartic acid;NCI 224131;NSC 224131;NSC 224131, disodium salt;NSC 224131, tetrasodium salt;NSC-224131;PALA;phosphonoacetyl-l-aspar

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAspartic acid and derivatives
Alternative Parents N-acyl-L-alpha-amino acids  Fatty acids and conjugates  Dicarboxylic acids and derivatives  Organic phosphonic acids  Secondary carboxylic acid amides  Carboxylic acids  Organopnictogen compounds  Organophosphorus compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Dicarboxylic acid or derivatives - Fatty acid - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA4 Tclin Carbonic anhydrase 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16 (5829 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight255.120 g/mol
XLogP3-3.100
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass255.014 Da
Monoisotopic Mass255.014 Da
Topological Polar Surface Area161.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity346.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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