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Sodium (6R，7R)-7-amino-3-(((6-hydroxy-2-methyl-5-oxo-2，5-dihydro-1，2，4-triazin-3-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate - ≥97%, high purity , CAS No.131257-07-3

COA

Grade & Purity:

≥97%

Cas Number: 131257-07-3
Molecular Weight: 393.4
MDL number: MFCD13185144
PubChem CID: 71307592

In stock

Item Number

S768372

Grouped product items
SKU	Size	Availability	Price
S768372-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
S768372-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
S768372-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
S768372-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$268.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Cephems Alkylarylthioethers 1,2,4-triazines 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Carbonyl compounds Organic sodium salts Organic zwitterions Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - 1,2,4-triazine - Triazine - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Lactam - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Dialkylthioether - Sulfenyl compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic sodium salt - Amine - Organooxygen compound - Organosulfur compound - Primary amine - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	sodium;(6R,7R)-7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
INCHI	InChI=1S/C12H13N5O5S2.Na/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22;/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22);/q;+1/p-1/t5-,10-;/m1./s1
InChIKey	PJJRLUBHVGIDHN-FURYJHRSSA-M
Smiles	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].[Na+]
Isomeric SMILES	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-].[Na+]
PubChem CID	71307592
Molecular Weight	393.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	393.400 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	393.018 Da
Monoisotopic Mass	393.018 Da
Topological Polar Surface Area	199.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	727.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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