ChemSpider 2D Image | Dianemycin | C47H78O14

Dianemycin

  • Molecular FormulaC47H78O14
  • Average mass867.114 Da
  • Monoisotopic mass866.539185 Da
  • ChemSpider ID62985936

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2S,4R,6E,8S)-8-[(2S,2'R,4'S,5R,5'S,7R,7'R,8R,9S,9'S,10'R)-9-Hydroxy-2'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-9'-{[(2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H -pyran-2-yl]oxy}-2,4',8,10'-tetramethyl-2,7'-bi(1,6-dioxaspiro[4.5]decan)-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid [ACD/IUPAC Name]
(2S,4R,6E,8S)-8-[(2S,2'R,4'S,5R,5'S,7R,7'R,8R,9S,9'S,10'R)-9-Hydroxy-2'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-9'-{[(2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H -pyran-2-yl]oxy}-2,4',8,10'-tetramethyl-2,7'-bi(1,6-dioxaspiro[4.5]decan)-7-yl]-2,4,6-trimethyl-5-oxo-6-nonensäure [German] [ACD/IUPAC Name]
35865-33-9 [RN]
6-Nonenoic acid, 8-[(2S,2'R,4'S,5R,5'S,7R,7'R,8R,9S,9'S,10'R)-9-hydroxy-2,4',8,10'-tetramethyl-2'-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9'-[[(2S,5S,6R)-tetr ahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7'-bi-1,6-dioxaspiro[4.5]decan]-7-yl]-2,4,6-trimethyl-5-oxo-, (2S,4R,6E,8S)- [ACD/Index Name]
Acide (2S,4R,6E,8S)-8-[(2S,2'R,4'S,5R,5'S,7R,7'R,8R,9S,9'S,10'R)-9-hydroxy-2'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxyméthyl)-3,5-diméthyltétrahydro-2H-pyran-2-yl]-9'-{[(2S,5S,6R)-5-méthoxy-6-méthyltétrahy dro-2H-pyran-2-yl]oxy}-2,4',8,10'-tétraméthyl-2,7'-bi(1,6-dioxaspiro[4.5]décan)-7-yl]-2,4,6-triméthyl-5-oxo-6-nonénoïque [French] [ACD/IUPAC Name]
Dianemycin
(2S,4R,6E,8S)-8-[(2S,2'R,4'S,5R,5'S,7R,7'R,8R,9S,9'S,10'R)-9-hydroxy-2,4',8,10'-tetramethyl-2'-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9'-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7'-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
Nanchangmycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 910.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 256.4±27.8 °C
Index of Refraction: 1.549
Molar Refractivity: 227.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 142.59
ACD/KOC (pH 5.5): 647.82
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 10.18
Polar Surface Area: 189 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 713.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement