ChemSpider 2D Image | 2,15,17,29-Tetrahydroxy-27-{2-[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]-2-oxoethoxy}-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triacon ta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate | C49H62N2O14

2,15,17,29-Tetrahydroxy-27-{2-[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]-2-oxoethoxy}-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate

  • Molecular FormulaC49H62N2O14
  • Average mass903.022 Da
  • Monoisotopic mass902.420105 Da
  • ChemSpider ID374062

More details:

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

2,15,17,29-Tetrahydroxy-27-{2-[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]-2-oxoethoxy}-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(29),2,4,9,19,21,25,27-octaen-13-yl acetate [ACD/IUPAC Name]
2,15,17,29-Tetrahydroxy-27-{2-[(1-hydroxy-1-phenyl-2-propanyl)(methyl)amino]-2-oxoethoxy}-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(29),2,4,9,19,21,25,27-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
Acetamide, 2-[[21-(acetyloxy)-1,2-dihydro-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-9-yl]oxy]-N-(2-hydroxy -1-methyl-2-phenylethyl)-N-methyl- [ACD/Index Name]
Acétate de 2,15,17,29-tétrahydroxy-27-{2-[(1-hydroxy-1-phényl-2-propanyl)(méthyl)amino]-2-oxoéthoxy}-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05, 28]triaconta-1(29),2,4,9,19,21,25,27-octaén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1008.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.1±3.0 kJ/mol
Flash Point: 563.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 241.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 68.04
ACD/KOC (pH 5.5): 433.06
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 8.45
Polar Surface Area: 231 Å2
Polarizability: 95.7±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 677.6±5.0 cm3

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