cephamycin C , CAS No.34279-51-1

CAS: 34279-51-1 Cat. No.: C1311317 분자식: C₁₆H₂₂N₄O₉S 분자량: 446.4

Storage

Room temperature

Shipped In

Normal

Specifications

보관 조건

Room temperature

배송

Normal

이름과 식별자

• 정식 스마일: CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCC[C@H](C(=O)O)N
• IUPAC Name: (6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• InChIKey: LXWBXEWUSAABOA-VXSYNFHWSA-N
• INCHI: 1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1
• 분자량: 446.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins
            • Level7 Cephalosporin 3'-carbamates

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems - Cephalosporins
• Direct Parent: Cephalosporin 3'-carbamates
• Alternative Parents: Cephamycins N-acyl-alpha amino acids and derivatives D-alpha-amino acids Medium-chain fatty acids Heterocyclic fatty acids N-acyl amines Dicarboxylic acids and derivatives 1,3-thiazines Carbamate esters Tertiary carboxylic acid amides Amino acids Azetidines Organic carbonic acids and derivatives Secondary carboxylic acid amides Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Dialkylthioethers Organopnictogen compounds Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cephalosporin 3'-carbamate - Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Medium-chain fatty acid - Heterocyclic fatty acid - Meta-thiazine - N-acyl-amine - Fatty amide - Fatty acyl - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carbamic acid ester - Carbonic acid derivative - Secondary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group.
• External Descriptors: Cephems

Data sources

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

화학 및 물리적 특성

• 분자량: 446.400 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 446.111 Da
• Monoisotopic Mass: 446.111 Da
• Topological Polar Surface Area: 237.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 802.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34279-51-1, the molecular formula is C16H22N4O9S, and the molecular weight is 446.4 g/mol. InChIKey LXWBXEWUSAABOA-VXSYNFHWSA-N.

What documentation is provided?

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