ChemSpider 2D Image | (10S,15S)-23-Isobutoxy-12-[(6-isopropyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-19-methyl-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-hexaene-17,20-dione | C38H47N5O7

(10S,15S)-23-Isobutoxy-12-[(6-isopropyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6, 21,23-hexaene-17,20-dione

  • Molecular FormulaC38H47N5O7
  • Average mass685.809 Da
  • Monoisotopic mass685.347534 Da
  • ChemSpider ID115283065

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-23-Isobutoxy-12-[(6-isopropyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-19-methyl-2,9-dioxa-12,16,19-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]
(10S,15S)-23-Isobutoxy-12-[(6-isopropyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6, 21,23-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-23-Isobutoxy-12-[(6-isopropyl-2-méthoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)méthyl]-19-méthyl-2,9-dioxa-12,16,19-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-10,6:12,16-Dimethenopyrido[3,4-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 20-[[6,7-dihydro-2-methoxy-6-(1-methylethyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-3,4,18a,19,20,21,22,22a-oc tahydro-4-methyl-8-(2-methylpropoxy)-, (18aS,22aS)- [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: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 493.5±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 187.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 73.30
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 61.33
ACD/KOC (pH 7.4): 643.04
Polar Surface Area: 123 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 571.4±3.0 cm3

Click to predict properties on the Chemicalize site


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