ChemSpider 2D Image | (3R,4S,5S)-5-[(Benzyloxy)carbonyl]-3-{[(9H-fluoren-9-ylidenemethoxy)carbonyl]amino}-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-(9-phenyl-9H-fluoren-9-yl)-3-pyrrolidinecarboxylic acid | C53H46N2O8

(3R,4S,5S)-5-[(Benzyloxy)carbonyl]-3-{[(9H-fluoren-9-ylidenemethoxy)carbonyl]amino}-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-(9-phenyl-9H-fluoren-9-yl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC53H46N2O8
  • Average mass838.941 Da
  • Monoisotopic mass838.325439 Da
  • ChemSpider ID30658938

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5S)-5-[(Benzyloxy)carbonyl]-3-{[(9H-fluoren-9-ylidenemethoxy)carbonyl]amino}-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-(9-phenyl-9H-fluoren-9-yl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3R,4S,5S)-5-[(Benzyloxy)carbonyl]-3-{[(9H-fluoren-9-ylidenmethoxy)carbonyl]amino}-4-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1-(9-phenyl-9H-fluoren-9-yl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
2,4-Pyrrolidinedicarboxylic acid, 3-[2-(1,1-dimethylethoxy)-2-oxoethyl]-4-[[(9H-fluoren-9-ylidenemethoxy)carbonyl]amino]-1-(9-phenyl-9H-fluoren-9-yl)-, 2-(phenylmethyl) ester, (2S,3S,4R)- [ACD/Index Name]
Acide (3R,4S,5S)-5-[(benzyloxy)carbonyl]-3-{[(9H-fluorén-9-ylidèneméthoxy)carbonyl]amino}-4-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}-1-(9-phényl-9H-fluorén-9-yl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 237.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 9.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 447422.91
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 244464.63
ACD/KOC (pH 7.4): 23234.42
Polar Surface Area: 131 Å2
Polarizability: 94.1±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 611.8±5.0 cm3

Click to predict properties on the Chemicalize site


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