ChemSpider 2D Image | alemcinal | C38H67NO10

alemcinal

  • Molecular FormulaC38H67NO10
  • Average mass697.939 Da
  • Monoisotopic mass697.476501 Da
  • ChemSpider ID8093726

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-y l]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-on [German] [ACD/IUPAC Name]
(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-y l]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one [ACD/IUPAC Name]
(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-Éthyl-11-({(2S,3R,4S,6R)-4-[éthyl(méthyl)amino]-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl}oxy)-3-hydroxy-9-{[(2S,4S,6S)-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-y l]oxy}-2,4,8,10,12,14-hexaméthyl-6,15-dioxabicyclo[10.2.1]pentadéc-1(14)-én-7-one [French] [ACD/IUPAC Name]
150785-53-8 [RN]
5DS173ODI4
alemcinal [INN] [USAN]
alemcinal [French] [INN]
alemcinal [Spanish] [INN]
alemcinalum [Latin] [INN]
алемцинал [Russian] [INN]
More...

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

7908 [DBID]
D02801 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 188.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 17.05
ACD/KOC (pH 5.5): 50.68
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 851.77
ACD/KOC (pH 7.4): 2531.73
Polar Surface Area: 125 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 614.1±5.0 cm3

Click to predict properties on the Chemicalize site


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