ChemSpider 2D Image | (1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Ethoxy-1,18-dihydroxy-12-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30 .3.1.0~4,9~]hexatriaconta-24,26,28-triene-2,3,10,14,20-pentone | C52H77NO13

(1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Ethoxy-1,18-dihydroxy-12-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30 .3.1.04,9]hexatriaconta-24,26,28-triene-2,3,10,14,20-pentone

  • Molecular FormulaC52H77NO13
  • Average mass924.167 Da
  • Monoisotopic mass923.539490 Da
  • ChemSpider ID4883450

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Ethoxy-1,18-dihydroxy-12-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30 ;.3.1.04,9]hexatriaconta-24,26,28-trien-2,3,10,14,20-penton [German] [ACD/IUPAC Name]
(1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Ethoxy-1,18-dihydroxy-12-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30 ;.3.1.04,9]hexatriaconta-24,26,28-triene-2,3,10,14,20-pentone [ACD/IUPAC Name]
(1R,9S,12S,15R,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-30-Éthoxy-1,18-dihydroxy-12-[(2R)-1-(4-hydroxy-3-méthoxyphényl)-2-propanyl]-19-méthoxy-15,17,21,23,29,35-hexaméthyl-11,36-dioxa-4-azatricyclo[30 ;.3.1.04,9]hexatriaconta-24,26,28-triène-2,3,10,14,20-pentone [French] [ACD/IUPAC Name]
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone, 21-ethoxy-7,8,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-9,27-dihydroxy-3-[(1R)-2-(4-hydr oxy-3-methoxyphenyl)-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,9R,10R,12R,14S,15Z,17E,19E,21S,23S,26R,27R,34aS)- [ACD/Index Name]
C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSANT DRUG
RAPX
RPX

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

Density: 1.2±0.1 g/cm3
Boiling Point: 986.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 550.1±37.1 °C
Index of Refraction: 1.560
Molar Refractivity: 250.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3827.46
ACD/KOC (pH 5.5): 12771.34
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3816.43
ACD/KOC (pH 7.4): 12734.54
Polar Surface Area: 195 Å2
Polarizability: 99.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 774.7±5.0 cm3

Click to predict properties on the Chemicalize site


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