ChemSpider 2D Image | (16E,24Z,26E,28E)-1,18,19,30-Tetrahydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0~4,9~]hexatriaconta-16,24,26,28-tetraene-2,3, 10,14,20-pentone | C49H75NO13

(16E,24Z,26E,28E)-1,18,19,30-Tetrahydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3, 10,14,20-pentone

  • Molecular FormulaC49H75NO13
  • Average mass886.119 Da
  • Monoisotopic mass885.523865 Da
  • ChemSpider ID8138425

  • Double-bond stereo - Double-bond stereo

More details:

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

(16E,24Z,26E,28E)-1,18,19,30-Tetrahydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-2,3,1 0,14,20-penton [German] [ACD/IUPAC Name]
(16E,24Z,26E,28E)-1,18,19,30-Tetrahydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)-2-propanyl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3, 10,14,20-pentone [ACD/IUPAC Name]
(16E,24Z,26E,28E)-1,18,19,30-Tétrahydroxy-12-[1-(4-hydroxy-3-méthoxycyclohexyl)-2-propanyl]-15,17,21,23,29,35-hexaméthyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraène-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-9,10,21,27-tetrahydroxy-3-[2-(4-hydroxy-3-meth oxycyclohexyl)-1-methylethyl]-6,8,12,14,20,26-hexamethyl-, (7E,15Z,17E,19E)- [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: 990.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.7±6.0 kJ/mol
Flash Point: 553.0±37.1 °C
Index of Refraction: 1.568
Molar Refractivity: 237.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.73
ACD/KOC (pH 5.5): 1646.33
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.52
ACD/KOC (pH 7.4): 1644.71
Polar Surface Area: 217 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 724.1±5.0 cm3

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