ChemSpider 2D Image | Benzyl (1S,3S,4R)-3-[(1S)-1-acetamidopentyl]-4-[(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclopentanecarboxylate | C31H48N4O7

Benzyl (1S,3S,4R)-3-[(1S)-1-acetamidopentyl]-4-[(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclopentanecarboxylate

  • Molecular FormulaC31H48N4O7
  • Average mass588.735 Da
  • Monoisotopic mass588.352295 Da
  • ChemSpider ID9236140

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3S,4R)-3-[(1S)-1-Acétamidopentyl]-4-[(2,2,10,10-tétraméthyl-4,8-dioxo-3,9-dioxa-5,7-diazaundécan-6-ylidène)amino]cyclopentanecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (1S,3S,4R)-3-[(1S)-1-acetamidopentyl]-4-[(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-ylidene)amino]cyclopentanecarboxylate [ACD/IUPAC Name]
Benzyl-(1S,3S,4R)-3-[(1S)-1-acetamidopentyl]-4-[(2,2,10,10-tetramethyl-4,8-dioxo-3,9-dioxa-5,7-diazaundecan-6-yliden)amino]cyclopentancarboxylat [German] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)pentyl]-4-[[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]amino]-, phenylmethyl ester, (1S,3S,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3519.37
ACD/KOC (pH 5.5): 12024.08
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3305.66
ACD/KOC (pH 7.4): 11293.94
Polar Surface Area: 144 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 504.9±7.0 cm3

Click to predict properties on the Chemicalize site


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