ChemSpider 2D Image | (9S,12S,15R)-12-Benzyl-15-isopropyl-9-(isopropylamino)-24-methoxy-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,10,13,16-tetrone | C34H49N5O6

(9S,12S,15R)-12-Benzyl-15-isopropyl-9-(isopropylamino)-24-methoxy-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,10,13,16-tetrone

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID71343536

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9S,12S,15R)-12-Benzyl-15-isopropyl-9-(isopropylamino)-24-methoxy-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-4,10,13,16-tetron [German] [ACD/IUPAC Name]
(9S,12S,15R)-12-Benzyl-15-isopropyl-9-(isopropylamino)-24-methoxy-2-oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,10,13,16-tetrone [ACD/IUPAC Name]
(9S,12S,15R)-12-Benzyl-15-isopropyl-9-(isopropylamino)-24-méthoxy-2-oxa-5,11,14,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-triène-4,10,13,16-tétrone [French] [ACD/IUPAC Name]
2-Oxa-5,11,14,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,10,13,16-tetrone, 24-methoxy-15-(1-methylethyl)-9-[(1-methylethyl)amino]-12-(phenylmethyl)-, (9S,12S,15R)- [ACD/Index 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: 925.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 513.5±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 25.67
Polar Surface Area: 147 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 526.8±5.0 cm3

Click to predict properties on the Chemicalize site


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