ChemSpider 2D Image | Methyl (2R,4R,5S,6R)-2-hydroxy-2-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-6- isopropyl-5-methyltetrahydro-2H-pyran-4-carboxylate | C37H60O10

Methyl (2R,4R,5S,6R)-2-hydroxy-2-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-6- isopropyl-5-methyltetrahydro-2H-pyran-4-carboxylate

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID23149364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,4R,5S,6R)-2-Hydroxy-2-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-diméthoxy-7,9,11,13-tétraméthyl-16-oxooxacyclohexadéca-4,6,12,14-tétraén-2-yl]-2-pentanyl}-6-isoprop yl-5-méthyltétrahydro-2H-pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-4-carboxylic acid, tetrahydro-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2- yl]-1-methylbutyl]-5-methyl-6-(1-methylethyl)-, methyl ester, (2R,4R,5S,6R)- [ACD/Index Name]
Methyl (2R,4R,5S,6R)-2-hydroxy-2-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-6- isopropyl-5-methyltetrahydro-2H-pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(2R,4R,5S,6R)-2-hydroxy-2-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2-pentanyl}-6- isopropyl-5-methyltetrahydro-2H-pyran-4-carboxylat [German] [ACD/IUPAC Name]
2-Hydroxy-2-[2-hydroxy-3-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)-1-methyl-butyl]-6-isopropyl-5-methyl-tetrahydro-pyran-4-carboxylic acid methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 226.4±26.4 °C
Index of Refraction: 1.528
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2215.84
ACD/KOC (pH 5.5): 8636.40
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2215.83
ACD/KOC (pH 7.4): 8636.35
Polar Surface Area: 141 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 589.8±5.0 cm3

Click to predict properties on the Chemicalize site


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