ChemSpider 2D Image | (2S)-[(22S)-17-[(3,3-Dimethylbutyl)carbamoyl]-4,22,28-trimethyl-21,27-dioxa-1,5,7,8-tetraazahexacyclo[26.2.2.1~6,9~.1~10,14~.0~2,7~.0~15,20~]tetratriaconta-2,4,6(34),8,10(33),11,13,15,17,19-decaen-3-y l][(2-methyl-2-propanyl)oxy]acetic acid | C44H59N5O6

(2S)-[(22S)-17-[(3,3-Dimethylbutyl)carbamoyl]-4,22,28-trimethyl-21,27-dioxa-1,5,7,8-tetraazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15,17,19-decaen-3-y l][(2-methyl-2-propanyl)oxy]acetic acid

  • Molecular FormulaC44H59N5O6
  • Average mass753.969 Da
  • Monoisotopic mass753.446533 Da
  • ChemSpider ID129010172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-[(22S)-17-[(3,3-Dimethylbutyl)carbamoyl]-4,22,28-trimethyl-21,27-dioxa-1,5,7,8-tetraazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15,17,19-decaen-3-y l][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2S)-[(22S)-17-[(3,3-Dimethylbutyl)carbamoyl]-4,22,28-trimethyl-21,27-dioxa-1,5,7,8-tetraazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15,17,19-decaen-3-y l][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acide (2S)-[(22S)-17-[(3,3-diméthylbutyl)carbamoyl]-4,22,28-triméthyl-21,27-dioxa-1,5,7,8-tétraazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tétratriaconta-2,4,6(34),8,10(33),11,13,15,17,19-déca
 én-3-yl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC 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: 1.602
Molar Refractivity: 213.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 538.78
ACD/KOC (pH 5.5): 483.01
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 76.58
ACD/KOC (pH 7.4): 68.65
Polar Surface Area: 128 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 623.1±7.0 cm3

Click to predict properties on the Chemicalize site


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