ChemSpider 2D Image | Methyl (6S,7S,11R,14R)-6,14-dibenzyl-11-sec-butyl-7-hydroxy-2,2-dimethyl-4,9,12-trioxo-3-oxa-5,10,13-triazapentadecan-15-oate | C32H45N3O7

Methyl (6S,7S,11R,14R)-6,14-dibenzyl-11-sec-butyl-7-hydroxy-2,2-dimethyl-4,9,12-trioxo-3-oxa-5,10,13-triazapentadecan-15-oate

  • Molecular FormulaC32H45N3O7
  • Average mass583.716 Da
  • Monoisotopic mass583.325745 Da
  • ChemSpider ID414781

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6S,7S,11R,14R)-6,14-Dibenzyl-11-sec-butyl-7-hydroxy-2,2-diméthyl-4,9,12-trioxo-3-oxa-5,10,13-triazapentadécan-15-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (6S,7S,11R,14R)-6,14-dibenzyl-11-sec-butyl-7-hydroxy-2,2-dimethyl-4,9,12-trioxo-3-oxa-5,10,13-triazapentadecan-15-oate [ACD/IUPAC Name]
Methyl-(6S,7S,11R,14R)-6,14-dibenzyl-11-sec-butyl-7-hydroxy-2,2-dimethyl-4,9,12-trioxo-3-oxa-5,10,13-triazapentadecan-15-oat [German] [ACD/IUPAC Name]
Boc-AHPPA-D-Ile-D-Phe-OMe

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

AIDS072557 [DBID]
AIDS-072557 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 803.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.6±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 159.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2120.23
ACD/KOC (pH 5.5): 8368.00
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2120.15
ACD/KOC (pH 7.4): 8367.67
Polar Surface Area: 143 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 507.2±3.0 cm3

Click to predict properties on the Chemicalize site


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