Boc-D-Dab(Z)(ol) - ≥98% , CAS No.197892-17-4

CAS: 197892-17-4 Cat. No.: B355603 Formula: C₁₇H₂₆N₂O₅ Peso molecolare: 338.39

GRADE & PURITY ≥98%

Synonyms

2-(Boc-amino)-4-(Z-amino)-1-butanol (R)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-(Boc-amino)-4-(Z-amino)-1-butanol (R)

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504771311

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771311

Sorrisi canonici

CC(C)(C)OC(=O)NC(CCNC(=O)OCC1=CC=CC=C1)CO

IUPAC Name

benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate

InChIKey

SLMOCVXNGYHGJK-CQSZACIVSA-N

INCHI

1S/C17H26N2O5/c1-17(2,3)24-16(22)19-14(11-20)9-10-18-15(21)23-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1

Isomeri SMILES

CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1=CC=CC=C1)CO

Peso molecolare

338.39

Reaxy-Rn

8784719

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8784719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 338.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 338.184 Da
• Monoisotopic Mass: 338.184 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 389.000
• 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