Boc-D-Ser-OH - ≥98% , CAS No.6368-20-3

CAS: 6368-20-3 Cat. No.: B105769 분자식: C₈H₁₅NO₅ 분자량: 205.21 Beilstein Registry Number: 1874714 EC 번호: 613-313-8

GRADE & PURITY ≥98%

Synonyms

N-Boc-(D)-serine | J-300229 | Boc-D-serine | DTXSID10348465 | (R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid | Q-101712 | AC-24071 | N-Boc-D-serine | N-tert-Butoxycarbonyl-D-serine | FD3065 | (tert-Butoxycarbonyl)-D-serine monohydrate | Boc-D-Ser

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

N-Boc-(D)-serine | J-300229 | Boc-D-serine | DTXSID10348465 | (R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid | Q-101712 | AC-24071 | N-Boc-D-serine | N-tert-Butoxycarbonyl-D-serine | FD3065 | (tert-Butoxycarbonyl)-D-serine monohydrate | Boc-D-Ser

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488190849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190849
• 정식 스마일: CC(C)(C)OC(=O)NC(CO)C(=O)O
• IUPAC Name: (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: FHOAKXBXYSJBGX-RXMQYKEDSA-N
• INCHI: 1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
• 이성체 SMILES: CC(C)(C)OC(=O)N[C@H](CO)C(=O)O
• WGK 독일: 3
• 분자량: 205.21
• Beilstein: 1874714
• Reaxy-Rn: 2212251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212251&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 Serine 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: Serine and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Serine or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as serine and derivatives. These are compounds containing serine or a derivative thereof resulting from reaction of serine 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

• 특정 회전[α]: 8.5° (C=2,H2O)
• 녹는점(°C): 88-93°C
• 분자량: 205.210 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 205.095 Da
• Monoisotopic Mass: 205.095 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• 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