Laidlomycin - Moligand™, ≥93% , CAS No.56283-74-0

CAS: 56283-74-0 Cat. No.: L954607 분자식: C₃₇H₆₂O₁₂ 분자량: 698.88 EC 번호: 260-095-1

GRADE & PURITY Moligand™, ≥93%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Lincomycin (compound II) is a new polyether antibiotic that can be isolated from streptoverticillium olivoreticuli

Specifications

사양 및 순도

Moligand™, ≥93%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥93%

이름과 식별자

• 정식 스마일: CCC(=O)OC(C(C)C1C(C(CC2(O1)CCC(O2)(C)C3CCC(O3)(C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C)O)C)C(C)C(=O)O
• IUPAC Name: (2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
• InChIKey: ZNBNBTIDJSKEAM-NISBWGIBSA-N
• INCHI: 1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,29-,30+,31-,32+,34-,35-,36+,37-/m0/s1
• 이성체 SMILES: CCC(=O)O[C@H]([C@H](C)[C@@H]1[C@@H]([C@H](C[C@@]2(O1)CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C)O)C)[C@H](C)C(=O)O
• 대체 CAS: 56283-74-0
• MeSH 용어: Cattlyst;laidlomycin
• 분자량: 698.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Heterocyclic fatty acids
• Alternative Parents: Hydroxy fatty acids Ketals Methyl-branched fatty acids Dicarboxylic acids and derivatives Oxanes Oxolanes Secondary alcohols Hemiacetals Carboxylic acid esters Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Ketal - Dicarboxylic acid or derivatives - Oxane - Oxolane - Carboxylic acid ester - Secondary alcohol - Hemiacetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Acetal - Ether - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary alcohol - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
• External Descriptors: Not available

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: 698.900 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 698.424 Da
• Monoisotopic Mass: 698.424 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 17
• 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