ChemSpider 2D Image | (4R)-3-{(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (non-preferred name) | C30H36N2O7S

(4R)-3-{(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (non-preferred name)

  • Molecular FormulaC30H36N2O7S
  • Average mass568.681 Da
  • Monoisotopic mass568.224304 Da
  • ChemSpider ID60498675

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-3-{(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}-2,2-dimethyl-1,3-thiazolidin-4-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(4R)-3-{(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-[(2-methyl-2-propanyl)oxy]-5-oxopentanoyl}-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
183958-94-3 [RN]
3-Thiazolidinepentanoic acid, 4-carboxy-γ-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-δ-oxo-, α-(1,1-dimethylethyl) ester, (γS,4R)- [ACD/Index Name]
Acide (4R)-3-{(2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-5-[(2-méthyl-2-propanyl)oxy]-5-oxopentanoyl}-2,2-diméthyl-1,3-thiazolidine-4-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 150.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 30.30
ACD/KOC (pH 5.5): 84.81
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 148 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 450.3±3.0 cm3

Click to predict properties on the Chemicalize site


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