Found 216 results

Search term: MF = 'C_{30}H_{39}N_{3}O_{7}'
ChemSpider 2D Image | Dimethyl 3-({N-[(adamantan-2-yloxy)carbonyl]-alpha-methyl-D-tryptophyl}amino)pentanedioate | C30H39N3O7

Dimethyl 3-({N-[(adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)pentanedioate

  • Molecular FormulaC30H39N3O7
  • Average mass553.647 Da
  • Monoisotopic mass553.278809 Da
  • ChemSpider ID8706152

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

3-({N-[(Adamantan-2-yloxy)carbonyl]-α-méthyl-D-tryptophyl}amino)pentanedioate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-({N-[(adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)pentanedioate [ACD/IUPAC Name]
dimethyl 3-({α-methyl-N-[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)pentanedioate
Dimethyl-3-({N-[(adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)pentandioat [German] [ACD/IUPAC Name]
Pentanedioic acid, 3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-, dimethyl ester [ACD/Index Name]
3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-pentanedioic acid dimethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341560/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2226.93
ACD/KOC (pH 5.5): 8667.23
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2220.67
ACD/KOC (pH 7.4): 8642.87
Polar Surface Area: 136 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 429.3±5.0 cm3

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