ChemSpider 2D Image | (~2~H_3_)Methyl [(5S,10S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-~2~H_3_)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-prefe rred name) | C38H46D6N6O7

(2H3)Methyl [(5S,10S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-prefe rred name)

  • Molecular FormulaC38H46D6N6O7
  • Average mass710.893 Da
  • Monoisotopic mass710.427429 Da
  • ChemSpider ID77499095

  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl [(5S,10S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate (non-prefe rred name) [ACD/IUPAC Name]
(2H3)Methyl-[(5S,10S)-11-benzyl-10-hydroxy-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamat (non-prefer red name) [German] [ACD/IUPAC Name]
[(5S,10S)-11-Benzyl-10-hydroxy-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6,13-trioxo-8-[4-(2-pyridinyl)benzyl](1,1,1-2H3)-2-oxa-4,7,8,12-tétraazahexadécan-14-yl]carbamate de (2H3)méthyle (non-p ; referred name) [French] [ACD/IUPAC Name]
1092540-50-5 [RN]

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: 1.562
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1654.44
ACD/KOC (pH 5.5): 6745.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1883.23
ACD/KOC (pH 7.4): 7678.09
Polar Surface Area: 171 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 597.9±3.0 cm3

Click to predict properties on the Chemicalize site


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