ChemSpider 2D Image | (10R,15S)-13-(Cyclopentylcarbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.1~3,7~.0~10,15~]hexacosa-1(25),3(26),4,6,21,23-hexaen-17-one | C32H43N3O6

(10R,15S)-13-(Cyclopentylcarbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17-one

  • Molecular FormulaC32H43N3O6
  • Average mass565.700 Da
  • Monoisotopic mass565.315186 Da
  • ChemSpider ID62733001

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-(Cyclopentylcarbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17-on [German] [ACD/IUPAC Name]
(10R,15S)-13-(Cyclopentylcarbonyl)-24-methoxy-19-(3-methoxypropyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17-one [ACD/IUPAC Name]
(10R,15S)-13-(Cyclopentylcarbonyl)-24-méthoxy-19-(3-méthoxypropyl)-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaén-17-one [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosin-2(3H)-one, 21-(cyclopentylcarbonyl)-4,5,18a,19,20,21,22,22a-octahydro-9-methoxy-4-(3-methoxypropyl)-, (18aR,22aS)- [ACD/Index Name]
cis-21-(cyclopentylcarbonyl)-9-methoxy-4-(3-methoxypropyl)-4,5,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloicosin-2(3H)-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 782.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 23.47
ACD/KOC (pH 5.5): 247.74
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.01
ACD/KOC (pH 7.4): 686.30
Polar Surface Area: 90 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 493.7±3.0 cm3

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