ChemSpider 2D Image | 2-Oxo-2-{[(9E,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-2,4,9,19,21,25(29) ,26-heptaen-13-yl]oxy}ethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate | C49H65N3O15

2-Oxo-2-{[(9E,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-2,4,9,19,21,25(29) ,26-heptaen-13-yl]oxy}ethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate

  • Molecular FormulaC49H65N3O15
  • Average mass936.052 Da
  • Monoisotopic mass935.441589 Da
  • ChemSpider ID21542413

  • Double-bond stereo - Double-bond stereo

More details:

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

(1-Méthyl-1,4-dihydro-3-pyridinyl)acétate de 2-oxo-2-{[(9E,19E,21Z)-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-(4-morpholinyl)-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3. ;1.14,7.05,28]triaconta-2,4,9,19,21,25(29),26-heptaén-13-yl]oxy}éthyle [French] [ACD/IUPAC Name]
2-Oxo-2-{[(9E,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-2,4,9,19,21,25(29) ;,26-heptaen-13-yl]oxy}ethyl (1-methyl-1,4-dihydro-3-pyridinyl)acetate [ACD/IUPAC Name]
2-Oxo-2-{[(9E,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-(4-morpholinyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-2,4,9,19,21,25(29) ;,26-heptaen-13-yl]oxy}ethyl-(1-methyl-1,4-dihydro-3-pyridinyl)acetat [German] [ACD/IUPAC Name]
3-Pyridineacetic acid, 1,4-dihydro-1-methyl-, 2-oxo-2-[[(12Z,14E,24E)-1,2,5a,9a-tetrahydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(4-morpholinyl)-1,11-dioxo-2,7-(epoxy[1, 11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-yl]oxy]ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1020.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.8±6.0 kJ/mol
Flash Point: 570.8±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 243.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 20.09
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 683.8±5.0 cm3

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