ChemSpider 2D Image | (2R,3R,4R,6S)-4-(Dimethylamino)-6-(8-[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{(2S,3R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trio xo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name) | C43H52N2O11

(2R,3R,4R,6S)-4-(Dimethylamino)-6-(8-[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{(2S,3R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trio xo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name)

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID59701363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4R,6S)-4-(Dimethylamino)-6-(8-[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{(2S,3R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trio xo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4R,6S)-4-(Dimethylamino)-6-(8-[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{(2S,3R)-2-methyl-3-[(1E)-1-propen-1-yl]-2-oxiranyl}-4,7,12-trio xo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl-acetat (non-preferred name) [German] [ACD/IUPAC Name]
Acétate de (2R,3R,4R,6S)-4-(diméthylamino)-6-(8-[(2S,4R,5R,6R)-4-(diméthylamino)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-11-hydroxy-5-méthyl-2-{(2S,3R)-2-méthyl-3-[(1E)-1-propén-1-yl]-2-oxiranyl}- 4,7,12-trioxo-7,12-dihydro-4H-naphto[2,3-h]chromén-10-yl)-2,4-diméthyltétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
Pluramycin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 878.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 485.1±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 204.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 10.15
ACD/KOC (pH 7.4): 30.60
Polar Surface Area: 165 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 569.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement