ChemSpider 2D Image | (10R,15S)-13-[(1,2-Dimethyl-1H-imidazol-5-yl)methyl]-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 | C32H43N5O5

(10R,15S)-13-[(1,2-Dimethyl-1H-imidazol-5-yl)methyl]-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 FormulaC32H43N5O5
  • Average mass577.714 Da
  • Monoisotopic mass577.326416 Da
  • ChemSpider ID62723999

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-[(1,2-Dimethyl-1H-imidazol-5-yl)methyl]-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-[(1,2-Dimethyl-1H-imidazol-5-yl)methyl]-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-[(1,2-Diméthyl-1H-imidazol-5-yl)méthyl]-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-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-4,5,18a,19,20,21,22,22a-octahydro-9-methoxy-4-(3-methoxypropyl)-, (18aR,2 2aS)- [ACD/Index Name]
cis-21-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-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: 1.2±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 430.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 46.62
Polar Surface Area: 90 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 465.8±7.0 cm3

Click to predict properties on the Chemicalize site


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