ChemSpider 2D Image | Methyl (2R)-[(1S,2R,3S,6S,8S,10S)-2-hydroxy-16-methoxy-3-methyl-10-(2-methyl-2-propanyl)-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.0~1,8~.0~2,6~.0~8,12~]hexadec-9-yl](methoxy)acetate | C23H32O10

Methyl (2R)-[(1S,2R,3S,6S,8S,10S)-2-hydroxy-16-methoxy-3-methyl-10-(2-methyl-2-propanyl)-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadec-9-yl](methoxy)acetate

  • Molecular FormulaC23H32O10
  • Average mass468.494 Da
  • Monoisotopic mass468.199554 Da
  • ChemSpider ID23280853

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(2R)-[(1S,2R,3S,6S,8S,10S)-2-Hydroxy-16-méthoxy-3-méthyl-10-(2-méthyl-2-propanyl)-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadéc-9-yl](méthoxy)acétate de méthyle [French] [ACD/IUPAC Name]
7H-5a,1-(Epoxymethano)-5H-cyclopenta[b']cyclopenta[1,5-b:3,4-c']difuran-1(2H)-acetic acid, 2-(1,1-dimethylethyl)hexahydro-5b-hydroxy-α,11-dimethoxy-6-methyl-5,7-dioxo-, methyl ester, (αR,2S,5a S,5bR,6S,8aS,9aS)- [ACD/Index Name]
7H-5a,1-(epoxymethano)-5H-cyclopenta[b']cyclopenta[1,5-b:3,4-c']difuran-1(2H)-acetic acid, 2-(1,1-dimethylethyl)hexahydro-5b-hydroxy-α,11-dimethoxy-6-methyl-5,7-dioxo-, methyl ester, (αR,2S,5aS,5bR,6S,8aS,9aS)-
Methyl (2R)-[(1S,2R,3S,6S,8S,10S)-2-hydroxy-16-methoxy-3-methyl-10-(2-methyl-2-propanyl)-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadec-9-yl](methoxy)acetate [ACD/IUPAC Name]
methyl (2R)-[(2S,5aS,5bR,6S,8aS,9aS)-2-tert-butyl-5b-hydroxy-11-methoxy-6-methyl-5,7-dioxohexahydro-5bH-5a,1-(epoxymethano)cyclopenta[b']cyclopenta[1,5-b:3,4-c']difuran-1(2H,5H)-yl](methoxy)ethanoate
Methyl-(2R)-[(1S,2R,3S,6S,8S,10S)-2-hydroxy-16-methoxy-3-methyl-10-(2-methyl-2-propanyl)-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadec-9-yl](methoxy)acetat [German] [ACD/IUPAC Name]
CHEMBL223081
methyl (2R)-2-[(1S,2R,3S,6S,8S,10S)-10-tert-butyl-2-hydroxy-16-methoxy-3-methyl-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.01,8.02,6.08,12]hexadecan-9-yl]-2-methoxyacetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 221.6±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 212.08
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 212.06
Polar Surface Area: 127 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

Click to predict properties on the Chemicalize site


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