ChemSpider 2D Image | 4-[2-(1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0~4,9~]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl 3-hy droxy-2-(hydroxymethyl)-2-methylpropanoate | C56H87NO16

4-[2-(1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl 3-hy droxy-2-(hydroxymethyl)-2-methylpropanoate

  • Molecular FormulaC56H87NO16
  • Average mass1030.287 Da
  • Monoisotopic mass1029.602539 Da
  • ChemSpider ID21235011

More details:

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

3-Hydroxy-2-(hydroxyméthyl)-2-méthylpropanoate de 4-[2-(1,18-dihydroxy-19,30-diméthoxy-15,17,21,23,29,35-hexaméthyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26 ,28-tétraén-12-yl)propyl]-2-méthoxycyclohexyle [French] [ACD/IUPAC Name]
4-[2-(1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl 3-hy droxy-2-(hydroxymethyl)-2-methylpropanoate [ACD/IUPAC Name]
4-[2-(1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl)propyl]-2-methoxycyclohexyl-3-hy droxy-2-(hydroxymethyl)-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, 2-methoxy-4-[2-(1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26 -hexamethyl-1,5,11,28,29-pentaoxo-23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontin-3-yl)propyl]cyclohexyl ester [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: 1048.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.7±6.0 kJ/mol
Flash Point: 587.8±37.1 °C
Index of Refraction: 1.554
Molar Refractivity: 273.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 797.29
ACD/KOC (pH 5.5): 4155.04
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 796.51
ACD/KOC (pH 7.4): 4150.99
Polar Surface Area: 242 Å2
Polarizability: 108.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 853.1±5.0 cm3

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