Found 11 results

Search term: MF = 'C_{43}H_{57}N_{5}O_{9}'
ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (2R)-2-({(4S)-4-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)amino]-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}amino)pentanedioate | C43H57N5O9

Bis(2-methyl-2-propanyl) (2R)-2-({(4S)-4-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)amino]-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}amino)pentanedioate

  • Molecular FormulaC43H57N5O9
  • Average mass787.941 Da
  • Monoisotopic mass787.415649 Da
  • ChemSpider ID8756508

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-({(4S)-4-[(4-{[(2,7-Diméthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}benzoyl)amino]-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentanoyl}amino)pentanedioate de bis(2-méthyl-2-propan yle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (2R)-2-({(4S)-4-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)amino]-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}amino)pentanedioate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(2R)-2-({(4S)-4-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}benzoyl)amino]-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}amino)pentandioat ( non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 217.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19812.55
ACD/KOC (pH 5.5): 41419.89
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19832.68
ACD/KOC (pH 7.4): 41461.98
Polar Surface Area: 182 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 675.5±7.0 cm3

Click to predict properties on the Chemicalize site


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