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Search term: MUPHEXMZSXMJJT-DTNILZMJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0~2,6~]dec-4-yl]hexyl}-L-prolinamide | C38H52BN3O6

N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]hexyl}-L-prolinamide

  • Molecular FormulaC38H52BN3O6
  • Average mass657.647 Da
  • Monoisotopic mass657.394897 Da
  • ChemSpider ID23133650

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-[1-[(3aS,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]hexyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]hexyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]hexyl}-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phénylalanyl-N-{1-[(2S,6R)-2,9,9-triméthyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]déc-4-yl]hexyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-phenylalanyl-N-{1-[(3aS,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]hexyl}-L-prolinamide
benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-({1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexyl}carbamoyl)pyrrolidin-1-yl]propan-2-yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.5±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 106 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 551.7±5.0 cm3

Click to predict properties on the Chemicalize site


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