Found 21 results

Search term: MF = 'C_{33}H_{39}N_{3}O_{8}S'
ChemSpider 2D Image | tert-butyl 4-{N-[(benzyloxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-D-tyrosyl}piperazine-1-carboxylate | C33H39N3O8S

tert-butyl 4-{N-[(benzyloxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-D-tyrosyl}piperazine-1-carboxylate

  • Molecular FormulaC33H39N3O8S
  • Average mass637.743 Da
  • Monoisotopic mass637.245789 Da
  • ChemSpider ID23312336

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxylic acid, 4-[(2R)-3-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{N-[(benzyloxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-D-tyrosyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{N-[(benzyloxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-D-tyrosyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{N-[(Benzyloxy)carbonyl]-O-[(4-méthylphényl)sulfonyl]-D-tyrosyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-{N-[(benzyloxy)carbonyl]-O-[(4-methylphenyl)sulfonyl]-D-tyrosyl}piperazine-1-carboxylate
(R)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(tosyloxy)phenyl)propanoyl)piperazine-1-carboxylate
CHEMBL403601
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403601/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 809.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.2±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12099.99
ACD/KOC (pH 5.5): 29110.22
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12097.71
ACD/KOC (pH 7.4): 29104.72
Polar Surface Area: 140 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 500.5±3.0 cm3

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