ChemSpider 2D Image | (1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | C26H32Cl2N2O8S

(1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

  • Molecular FormulaC26H32Cl2N2O8S
  • Average mass603.512 Da
  • Monoisotopic mass602.125671 Da
  • ChemSpider ID35035187

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorophényl)sulfonyl]-5-[(1S)-1,2-dihydroxyéthyl]-3-[2-(3,4-diméthoxyphénoxy)éthyl]-3,10-diazabicyclo[4.3.1]décan-2-one [French] [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorphenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-on [German] [ACD/IUPAC Name]
3,10-Diazabicyclo[4.3.1]decan-2-one, 10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-, (1S,5S,6R)- [ACD/Index Name]
3JR

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.1±37.1 °C
Index of Refraction: 1.593
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.60
ACD/KOC (pH 5.5): 2111.14
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 309.60
ACD/KOC (pH 7.4): 2111.14
Polar Surface Area: 134 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

Click to predict properties on the Chemicalize site


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