ChemSpider 2D Image | (10S,14S)-18-Cyclopropyl-12-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-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 | C35H37N5O7

(10S,14S)-18-Cyclopropyl-12-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-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 FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID62720539

  • 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-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-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-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-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-[5-(1H-imidazol-1-ylméthyl)-2-furoyl]-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-1,3,4,6,7,19a,20,21,22,22a-decahydro-21-[[5-(1H-imidazol-1-ylmethyl)-2-furanyl]carbonyl]-10-met hoxy-, (19aS,22aS)- [ACD/Index Name]
trans-4-cyclopropyl-21-[5-(1H-imidazol-1-ylmethyl)-2-furoyl]-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: 1.4±0.1 g/cm3
Boiling Point: 945.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 525.3±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 171.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 23.82
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.63
ACD/KOC (pH 7.4): 146.15
Polar Surface Area: 128 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 453.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement