Found 67 results

Search term: MF = 'C_{34}H_{38}N_{4}O_{8}'
ChemSpider 2D Image | Methyl 6-{[(10S,15S)-23-isobutoxy-19-methyl-17,20-dioxo-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.1~3,7~.0~10,15~]hexacosa-1(25),3(26),4,6,21,23-hexaen-12-yl]carbonyl}nicotinate | C34H38N4O8

Methyl 6-{[(10S,15S)-23-isobutoxy-19-methyl-17,20-dioxo-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-12-yl]carbonyl}nicotinate

  • Molecular FormulaC34H38N4O8
  • Average mass630.688 Da
  • Monoisotopic mass630.268982 Da
  • ChemSpider ID115282209

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinecarboxylic acid, 6-[[(18aS,22aS)-1,2,3,4,5,18a,19,21,22,22a-decahydro-4-methyl-8-(2-methylpropoxy)-2,5-dioxo-17H,20H-10,6:12,16-dimethenopyrido[3,4-b][1,14,4,7]dioxadiazacycloeicosin-20-yl]c arbonyl]-, methyl ester [ACD/Index Name]
6-{[(10S,15S)-23-Isobutoxy-19-méthyl-17,20-dioxo-2,9-dioxa-12,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaén-12-yl]carbonyl}nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-{[(10S,15S)-23-isobutoxy-19-methyl-17,20-dioxo-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-12-yl]carbonyl}nicotinate [ACD/IUPAC Name]
Methyl-6-{[(10S,15S)-23-isobutoxy-19-methyl-17,20-dioxo-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-12-yl]carbonyl}nicotinat [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: 865.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.4±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 167.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.78
ACD/KOC (pH 5.5): 578.86
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.79
ACD/KOC (pH 7.4): 578.88
Polar Surface Area: 137 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 515.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement