Found 517 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{6}'
ChemSpider 2D Image | (1R,5R,12S)-9-[2-(Cyclopentylamino)ethyl]-13,14-dihydroxy-5-(2-propyn-1-yl)-15-oxa-3,6,9-triazabicyclo[10.2.1]pentadecane-4,7,10-trione | C21H32N4O6

(1R,5R,12S)-9-[2-(Cyclopentylamino)ethyl]-13,14-dihydroxy-5-(2-propyn-1-yl)-15-oxa-3,6,9-triazabicyclo[10.2.1]pentadecane-4,7,10-trione

  • Molecular FormulaC21H32N4O6
  • Average mass436.502 Da
  • Monoisotopic mass436.232178 Da
  • ChemSpider ID90615317

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R,5R,12S)-9-[2-(Cyclopentylamino)ethyl]-13,14-dihydroxy-5-(2-propin-1-yl)-15-oxa-3,6,9-triazabicyclo[10.2.1]pentadecan-4,7,10-trion [German] [ACD/IUPAC Name]
(1R,5R,12S)-9-[2-(Cyclopentylamino)ethyl]-13,14-dihydroxy-5-(2-propyn-1-yl)-15-oxa-3,6,9-triazabicyclo[10.2.1]pentadecane-4,7,10-trione [ACD/IUPAC Name]
(1R,5R,12S)-9-[2-(Cyclopentylamino)éthyl]-13,14-dihydroxy-5-(2-propyn-1-yl)-15-oxa-3,6,9-triazabicyclo[10.2.1]pentadécane-4,7,10-trione [French] [ACD/IUPAC Name]
15-Oxa-3,6,9-triazabicyclo[10.2.1]pentadecane-4,7,10-trione, 9-[2-(cyclopentylamino)ethyl]-13,14-dihydroxy-5-(2-propyn-1-yl)-, (1R,5R,12S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

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