Tunicamycin V - ≥95%(LC/MS-ELSD) , CAS No.66054-36-2

CAS: 66054-36-2 Cat. No.: T463871 분자식: C₃₈H₆₂N₄O₁₆ 분자량: 830.92 PubChem CID: 11104835

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

DTXSID601017533 | CHEBI:64250 | (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine | F82788 | Tunicamycin 15:1 Mixture | BDBM50537412 | HY-N8395 | AKOS040756343 | Q27

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Description

Natural product derived from fungal source.}

Specifications

동의어

DTXSID601017533 | CHEBI:64250 | (5'R)-5'-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(13-methyltetradec-2-enamido)-beta-D-galactopyranos-6-yl]uridine | F82788 | Tunicamycin 15:1 Mixture | BDBM50537412 | HY-N8395 | AKOS040756343 | Q27

사양 및 순도

≥95%(LC/MS-ELSD)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%(LC/MS-ELSD)

이름과 식별자

• 정식 스마일: CC(C)CCCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O
• IUPAC Name: (E)-N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-13-methyltetradec-2-enamide
• InChIKey: MEYZYGMYMLNUHJ-DIRMKAHISA-N
• INCHI: 1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1
• 이성체 SMILES: CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O
• PubChem CID: 11104835
• 분자량: 830.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 N-acyl-alpha-hexosamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: N-acyl-alpha-hexosamines
• Alternative Parents: Disaccharides Glycosylamines O-glycosyl compounds Pyrimidones Hydropyrimidines N-acyl amines Oxanes Acetamides Vinylogous amides Heteroaromatic compounds Tetrahydrofurans Secondary alcohols Secondary carboxylic acid amides Lactams Ureas Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-hexosamine - O-glycosyl compound - Disaccharide - Glycosyl compound - N-glycosyl compound - Pyrimidone - Oxane - Pyrimidine - Hydropyrimidine - N-acyl-amine - Tetrahydrofuran - Heteroaromatic compound - Vinylogous amide - Acetamide - Urea - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactam - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
• External Descriptors: nucleoside

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 830.900 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 20
• Exact Mass: 830.416 Da
• Monoisotopic Mass: 830.416 Da
• Topological Polar Surface Area: 306.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 15
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1