ChemSpider 2D Image | (10R,15S)-23-Ethoxy-13-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-19-methyl-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-hexaene-17,20-dione | C29H35N5O7

(10R,15S)-23-Ethoxy-13-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione

  • Molecular FormulaC29H35N5O7
  • Average mass565.617 Da
  • Monoisotopic mass565.253662 Da
  • ChemSpider ID62732120

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-23-Ethoxy-13-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10R,15S)-23-Ethoxy-13-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-19-methyl-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione [ACD/IUPAC Name]
(10R,15S)-23-Éthoxy-13-{[5-(méthoxyméthyl)-1,2,4-oxadiazol-3-yl]méthyl}-19-méthyl-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 8-ethoxy-3,4,18a,19,20,21,22,22a-octahydro-21-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methyl-, (18aR,22a S)- [ACD/Index Name]
cis-8-ethoxy-21-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-methyl-3,4,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloicosine-2,5-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 68.93
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.30
ACD/KOC (pH 7.4): 355.84
Polar Surface Area: 128 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 460.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement