Found 5 results

Search term: MF = 'C_{42}H_{67}N_{7}O_{10}'
ChemSpider 2D Image | (2R,4S,5R,6S,7R,8R,11S,12S,19R,20R)-5-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3,6-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-11-ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-16-{3-[4-(3-pyridinyl)-1H-imida zol-1-yl]propyl}-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.0~15,20~]icosane-9,14-dione | C42H67N7O10

(2R,4S,5R,6S,7R,8R,11S,12S,19R,20R)-5-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3,6-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-11-ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-16-{3-[4-(3-pyridinyl)-1H-imida zol-1-yl]propyl}-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.015,20]icosane-9,14-dione

  • Molecular FormulaC42H67N7O10
  • Average mass830.022 Da
  • Monoisotopic mass829.494934 Da
  • ChemSpider ID9426455

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(2R,4S,5R,6S,7R,8R,11S,12S,19R,20R)-5-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3,6-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-11-ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-16-{3-[4-(3-pyridinyl)-1H-imida ;zol-1-yl]propyl}-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.015,20]icosan-9,14-dion [German] [ACD/IUPAC Name]
(2R,4S,5R,6S,7R,8R,11S,12S,19R,20R)-5-{[(2R,3S,4R,6S)-4-(Dimethylamino)-3,6-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-11-ethyl-7-hydroxy-4-methoxy-2,4,6,8,12,19-hexamethyl-16-{3-[4-(3-pyridinyl)-1H-imida ;zol-1-yl]propyl}-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.015,20]icosane-9,14-dione [ACD/IUPAC Name]
(2R,4S,5R,6S,7R,8R,11S,12S,19R,20R)-5-{[(2R,3S,4R,6S)-4-(Diméthylamino)-3,6-dihydroxytétrahydro-2H-pyran-2-yl]oxy}-11-éthyl-7-hydroxy-4-méthoxy-2,4,6,8,12,19-hexaméthyl-16-{3-[4-(3-pyridinyl)-1H-imida ;zol-1-yl]propyl}-10,13-dioxa-15,16,18-triazatricyclo[10.6.2.015,20]icosane-9,14-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 943.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.6±37.1 °C
Index of Refraction: 1.623
Molar Refractivity: 216.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 193 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 613.5±7.0 cm3

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