Found 17 results

Search term: MF = 'C_{29}H_{38}N_{2}O_{9}S'
ChemSpider 2D Image | N,N-Dibutyl-N'-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]sulfuric diamide | C29H38N2O9S

N,N-Dibutyl-N'-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]sulfuric diamide

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID9402171

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Diamide N,N-dibutyl-N'-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]sulfurique [French] [ACD/IUPAC Name]
N,N-Dibutyl-N'-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]schwefeldiamid [German] [ACD/IUPAC Name]
N,N-Dibutyl-N'-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N,N-dibutyl-N'-[(5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]- [ACD/Index Name]
(10R,11R,15S,16S)-16-[(dibutylsulfamoyl)amino]-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,7-trien-12-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311011/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 397.6±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.99
ACD/KOC (pH 5.5): 1448.92
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.44
ACD/KOC (pH 7.4): 1444.55
Polar Surface Area: 141 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

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