Boc-Pro-OSu - ≥98% , CAS No.3392-10-7

CAS: 3392-10-7 Cat. No.: B465356 분자식: C₁₄H₂₀N₂O₆ 분자량: 312.32 Beilstein Registry Number: 497537 EC 번호: 222-233-9

GRADE & PURITY ≥98%

Synonyms

Boc-Pro-OSu, >=98.0% (N) | AKOS016843122 | N-t-Boc-L-proline-N-hydroxysuccinimide Ester | N-alpha-t-Butyloxycarbonyl-L-proline succinimidyl ester | (S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-(2,5-dioxo-pyrrolidin-1-yl) ester | A-d-glucose

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

Boc-Pro-OSu, >=98.0% (N) | AKOS016843122 | N-t-Boc-L-proline-N-hydroxysuccinimide Ester | N-alpha-t-Butyloxycarbonyl-L-proline succinimidyl ester | (S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-(2,5-dioxo-pyrrolidin-1-yl) ester | A-d-glucose

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504760281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760281
• 정식 스마일: CC(C)(C)OC(=O)N1CCCC1C(=O)ON2C(=O)CCC2=O
• IUPAC Name: 1-O-tert-butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
• InChIKey: DICWIJISMKZDDY-VIFPVBQESA-N
• INCHI: 1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m0/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O
• 분자량: 312.32
• Beilstein: 497537
• Reaxy-Rn: 497536
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=497536&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Pyrrolidine-2-ones Dicarboximides Carbamate esters Organic carbonic acids and derivatives Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Carboxylic acid salt - Lactam - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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: Moisyure sensitive
• 분자량: 312.320 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 312.132 Da
• Monoisotopic Mass: 312.132 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 494.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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