ChemSpider 2D Image | SKB-209670 | C29H28O9

SKB-209670

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID97114

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid
(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2-indancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2-indanecarboxylic acid [ACD/IUPAC Name]
157659-79-5 [RN]
1H-Indene-2-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-, (1S,2R,3S)- [ACD/Index Name]
Acide (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxyméthoxy)-4-méthoxyphényl]-5-propoxy-2-indanecarboxylique [French] [ACD/IUPAC Name]
SKB-209670
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0I32BCL40Z [DBID]
SB 209670 [DBID]
SB-209670 [DBID]
UNII:0I32BCL40Z [DBID]
UNII-0I32BCL40Z [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 233.3±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 386.5±3.0 cm3

Click to predict properties on the Chemicalize site


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