Boc-D-Pyroglutaminol - ≥97% , CAS No.128811-37-0

CAS: 128811-37-0 Cat. No.: B586915 Formule: C₁₀H₁₇NO₄ Poids moléculaire: 215.25

GRADE & PURITY ≥97%

Synonyms

SCHEMBL13482907 | (R)-tert-Butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate | AKOS015917865 | DS-14336 | tert-butyl (r)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate | MFCD12911763 | TERT-BUTYL (2R)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDINE-1-CARBOXYLAT

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

SCHEMBL13482907 | (R)-tert-Butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate | AKOS015917865 | DS-14336 | tert-butyl (r)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate | MFCD12911763 | TERT-BUTYL (2R)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDINE-1-CARBOXYLAT

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508806670

Sourires canoniques

CC(C)(C)OC(=O)N1C(CCC1=O)CO

IUPAC Name

tert-butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

InChIKey

NYYVBJAPYGKIEN-SSDOTTSWSA-N

INCHI

1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m1/s1

Isomères SMILES

CC(C)(C)OC(=O)N1[C@H](CCC1=O)CO

Poids moléculaire

215.25

Reaxy-Rn

31276566

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31276566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxoprolines
• Alternative Parents: Pyrrolidine carboxylic acids Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-pyrrolidone - Dicarboximide - Carbamic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxoprolines. These are compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 215.250 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.116 Da
• Monoisotopic Mass: 215.116 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• 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