ChemSpider 2D Image | (10S,14S)-18-Cyclopropyl-12-(3,4-dihydro-2H-chromen-6-ylcarbonyl)-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.1~3,7~.0~10,14~]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione | C36H39N3O7

(10S,14S)-18-Cyclopropyl-12-(3,4-dihydro-2H-chromen-6-ylcarbonyl)-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID62731748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,14S)-18-Cyclopropyl-12-(3,4-dihydro-2H-chromen-6-ylcarbonyl)-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaen-16,19-dion [German] [ACD/IUPAC Name]
(10S,14S)-18-Cyclopropyl-12-(3,4-dihydro-2H-chromen-6-ylcarbonyl)-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione [ACD/IUPAC Name]
(10S,14S)-18-Cyclopropyl-12-(3,4-dihydro-2H-chromén-6-ylcarbonyl)-24-méthoxy-2,9-dioxa-12,15,18-triazatétracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaène-16,19-dione [French] [ACD/IUPAC Name]
18H-8,11-Etheno-17,13-methenopyrrolo[3,4-b][1,15,4,7]dioxadiazacycloheneicosine-2,5-dione, 4-cyclopropyl-21-[(3,4-dihydro-2H-1-benzopyran-6-yl)carbonyl]-1,3,4,6,7,19a,20,21,22,22a-decahydro-10-methoxy -, (19aS,22aS)- [ACD/Index Name]
trans-4-cyclopropyl-21-(3,4-dihydro-2H-chromen-6-ylcarbonyl)-24-methoxy-1,3,4,6,7,19a,20,21,22,22a-decahydro-8,11-etheno-13,17-methenopyrrolo[3,4-b][1,15,4,7]dioxadiazacyclohenicosine-2,5-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 908.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 503.5±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.52
ACD/KOC (pH 5.5): 1180.98
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.52
ACD/KOC (pH 7.4): 1180.98
Polar Surface Area: 107 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 496.7±3.0 cm3

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