Neotame - ≥99% , CAS No.165450-17-9

CAS: 165450-17-9 Cat. No.: N133248 Fórmula: C₂₀H₃₀N₂O₅ Peso molecular: 378.46 Beilstein Registry Number: 8352678 Número EC: 605-408-8

GRADE & PURITY ≥99%

Synonyms

(3S)-3-[(3,3-dimethylbutyl)amino]-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid | INS NO.961 | Neotame [NF] | NEOTAME [USP-RS] | DTXSID50167950 | FXEUKVKGTKDDIQ-UWVGGRQHSA-N | NEOTAME [FHFI] | GS-3213 | N-boc amino alcohol | DB0413

Storage

Room temperature

Shipped In

Normal

Descripción general

A non-nutritive sweetener and an alkylated dipeptide reported to be 6000 to 10000 times sweeter than sucrose. It is structurally related to Aspartame.

Specifications

Sinónimos

(3S)-3-[(3,3-dimethylbutyl)amino]-3-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid | INS NO.961 | Neotame [NF] | NEOTAME [USP-RS] | DTXSID50167950 | FXEUKVKGTKDDIQ-UWVGGRQHSA-N | NEOTAME [FHFI] | GS-3213 | N-boc amino alcohol | DB0413

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488196311

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196311

Sonrisas canónicas

CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC

IUPAC Name

(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

InChIKey

HLIAVLHNDJUHFG-HOTGVXAUSA-N

INCHI

1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1

Isómeros SMILES

CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

Peso molecular

378.46

Beilstein

8352678

Reaxy-Rn

37813603

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37813603&ln=

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Chloroform and Methanol
• Rotación específica [α]: -57° (C=1,MeOH)
• Punto de fusión (°C): 86 °C
• Peso molecular: 378.500 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 378.215 Da
• Monoisotopic Mass: 378.215 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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