(+)-Biotin-PEG₄-amine - ≥95% , CAS No.663171-32-2

CAS: 663171-32-2 Cat. No.: B122228 분자식: C₂₀H₃₈N₄SO₆ 분자량: 462.60

등급 & 순도 ≥95%

Synonyms

(3aS,4S,6aR)-N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide | N-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]biotinamide | N-Biotinyl-3,6,9,12-tetraoxatetradecane-1,14-diamine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

사양

동의어

(3aS,4S,6aR)-N-(14-Amino-3,6,9,12-tetraoxatetradec-1-yl)hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide | N-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]biotinamide | N-Biotinyl-3,6,9,12-tetraoxatetradecane-1,14-diamine

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

528773404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773404

정식 스마일

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCN)NC(=O)N2

IUPAC Name

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide

InChIKey

GVGZXRGPGZMYTB-LNLFQRSKSA-N

INCHI

1S/C20H38N4O6S/c21-5-7-27-9-11-29-13-14-30-12-10-28-8-6-22-18(25)4-2-1-3-17-19-16(15-31-17)23-20(26)24-19/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26)/t16-,17-,19-/m0/s1

이성체 SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCN)NC(=O)N2

분자량

462.60

Reaxy-Rn

34371549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34371549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Amino acids and derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Amino acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

• 감도: Moisture sensitive；Heat sensitive
• 분자량: 462.600 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 462.251 Da
• Monoisotopic Mass: 462.251 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 516.000
• 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