ChemSpider 2D Image | 1,18-Dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-30-(5-methyl-2-thienyl)-11,36-dioxa-4-azatricyclo[30.3.1.0~4,9~]hexatriaconta-16,24,26,28-tetra ene-2,3,10,14,20-pentone | C55H81NO12S

1,18-Dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-30-(5-methyl-2-thienyl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetra ene-2,3,10,14,20-pentone

  • Molecular FormulaC55H81NO12S
  • Average mass980.296 Da
  • Monoisotopic mass979.547974 Da
  • ChemSpider ID3671255

More details:

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

1,18-Dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-30-(5-methyl-2-thienyl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetra 
en-2,3,10,14,20-penton [German] [ACD/IUPAC Name]
1,18-Dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-19-methoxy-15,17,21,23,29,35-hexamethyl-30-(5-methyl-2-thienyl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetra 
ene-2,3,10,14,20-pentone [ACD/IUPAC Name]
1,18-Dihydroxy-12-[1-(4-hydroxy-3-méthoxycyclohexyl)-2-propanyl]-19-méthoxy-15,17,21,23,29,35-hexaméthyl-30-(5-méthyl-2-thiényl)-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétra 
ène-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, 9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-[2-(4-hydroxy-3-methoxycycloh exyl)-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(5-methyl-2-thienyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1017.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.7±3.0 kJ/mol
Flash Point: 569.2±37.1 °C
Index of Refraction: 1.571
Molar Refractivity: 267.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70378.08
ACD/KOC (pH 5.5): 102653.78
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70313.73
ACD/KOC (pH 7.4): 102559.94
Polar Surface Area: 214 Å2
Polarizability: 106.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 815.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement