ChemSpider 2D Image | W486SJ5824 | C72H95ClN14O14

W486SJ5824

  • Molecular FormulaC72H95ClN14O14
  • Average mass1416.063 Da
  • Monoisotopic mass1414.684082 Da
  • ChemSpider ID64854713

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S)-1-[(2S,5S,8R,11S,14S,17R,20R,23R)-8-(2-Amino-2-oxoethyl)-20-(4-chlorbenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-2-[4-(isopropylamino)butyl]-12-methyl-23-(2-naphthylmethyl)-4,9,10,1 3,16,19,22,25-octaoxo-17-(3-pyridinylmethyl)-3,6,7,12,15,18,21,24-octaazahexacosan-1-oyl]-N-[(2R)-1-amino-1-oxo-2-propanyl]-2-pyrrolidincarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-1-[(2S,5S,8R,11S,14S,17R,20R,23R)-8-(2-Amino-2-oxoethyl)-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-2-[4-(isopropylamino)butyl]-12-methyl-23-(2-naphthylmethyl)-4,9,10, 13,16,19,22,25-octaoxo-17-(3-pyridinylmethyl)-3,6,7,12,15,18,21,24-octaazahexacosan-1-oyl]-N-[(2R)-1-amino-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S)-1-[(2S,5S,8R,11S,14S,17R,20R,23R)-8-(2-Amino-2-oxoéthyl)-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxyméthyl)-5-isobutyl-2-[4-(isopropylamino)butyl]-12-méthyl-23-(2-naphtylméthyl)-4,9,10,1 3,16,19,22,25-octaoxo-17-(3-pyridinylméthyl)-3,6,7,12,15,18,21,24-octaazahexacosan-1-oyl]-N-[(2R)-1-amino-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
183552-38-7 [RN]
W486SJ5824

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

7689 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1598.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 261.7±3.0 kJ/mol
Flash Point: 920.6±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 377.0±0.3 cm3
#H bond acceptors: 28
#H bond donors: 15
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 5.09
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 425 Å2
Polarizability: 149.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 1100.4±3.0 cm3

Click to predict properties on the Chemicalize site


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