ChemSpider 2D Image | (6S)-13-[5-Ethyl-4-(1-pyrrolidinylmethyl)-2-furoyl]-21-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione | C33H47N5O7

(6S)-13-[5-Ethyl-4-(1-pyrrolidinylmethyl)-2-furoyl]-21-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID62721862

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-13-[5-Ethyl-4-(1-pyrrolidinylmethyl)-2-furoyl]-21-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-13-[5-Ethyl-4-(1-pyrrolidinylmethyl)-2-furoyl]-21-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-13-[5-Éthyl-4-(1-pyrrolidinylméthyl)-2-furoyl]-21-méthoxy-6,8-diméthyl-2-oxa-5,8,13,17-tétraazabicyclo[17.2.2]tricosa-1(21),19,22-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-19,21,22-triene-4,7,18-trione, 13-[[5-ethyl-4-(1-pyrrolidinylmethyl)-2-furanyl]carbonyl]-21-methoxy-6,8-dimethyl-, (6S)- [ACD/Index Name]
(6S)-13-[5-ethyl-4-(pyrrolidin-1-ylmethyl)-2-furoyl]-21-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 888.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 491.1±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 546.8±3.0 cm3

Click to predict properties on the Chemicalize site


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