Found 1 result

Search term: 4949163 (Found by CSID)
ChemSpider 2D Image | (14E)-9-({5-[(5-Acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4 ,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoate | C40H65NO16

(14E)-9-({5-[(5-Acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4 ,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoate

  • Molecular FormulaC40H65NO16
  • Average mass815.941 Da
  • Monoisotopic mass815.430359 Da
  • ChemSpider ID4949163

  • Double-bond stereo - Double-bond stereo

More details:

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

(14E)-9-({5-[(5-Acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4 ,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoate [ACD/IUPAC Name]
(14E)-9-({5-[(5-Acetoxy-4-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4 ,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl-propanoat [German] [ACD/IUPAC Name]
Propanoate de (14E)-9-({5-[(5-acétoxy-4-hydroxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-13-hydroxy-8-méthoxy-3,12-diméthyl-5-oxo-10- (2-oxoéthyl)-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-7-yle [French] [ACD/IUPAC Name]
35942-57-5 [RN]
Antibiotic B 5050E
Maridomycin V
Turimycin EP(sub 2)

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

BRN 1420207 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.3±6.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 203.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 78.60
Polar Surface Area: 219 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 646.9±5.0 cm3

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