ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{4-methoxy-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0~2,6~]dec-4-yl]butyl}-L-prolinamide | C43H54BN3O7

N-[(Benzyloxy)carbonyl]-β-phenyl-D-phenylalanyl-N-{4-methoxy-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamide

  • Molecular FormulaC43H54BN3O7
  • Average mass735.716 Da
  • Monoisotopic mass735.405457 Da
  • ChemSpider ID8660532

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

L-Prolinamide, β-phenyl-N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-β-phenyl-D-phenylalanyl-N-{4-methoxy-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-β-phenyl-D-phenylalanyl-N-{4-methoxy-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-β-phényl-D-phénylalanyl-N-{4-méthoxy-1-[(1S,2S,6R,8S)-2,9,9-triméthyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]déc-4-yl]butyl}-L-prolinamide [French] [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: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 205.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#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: 115 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 600.0±5.0 cm3

Click to predict properties on the Chemicalize site


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