ChemSpider 2D Image | (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-Acetoxy-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate (non-preferred name) | C45H71NO17

(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-Acetoxy-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate (non-preferred name)

  • Molecular FormulaC45H71NO17
  • Average mass898.042 Da
  • Monoisotopic mass897.472229 Da
  • ChemSpider ID52083894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-Acetoxy-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl butanoate (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-Acetoxy-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-diacetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-2-m ethyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl-butanoat (non-preferred name) [German] [ACD/IUPAC Name]
Butanoate de (2S,3S,4R,6S)-6-{[(2R,3S,4S,5R,6S)-5-acétoxy-6-{[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4,10-diacétoxy-5-méthoxy-9,16-diméthyl-2-oxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yl]oxy}-4-(dimét hylamino)-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-diméthyltétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
22924-73-8 [RN]
LEUCOMYCIN A4 ACETATE

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

UNII:HWQ710J6ZZ [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.9±6.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 227.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 30.74
ACD/KOC (pH 5.5): 143.76
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 788.96
ACD/KOC (pH 7.4): 3689.62
Polar Surface Area: 218 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 742.6±5.0 cm3

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