ChemSpider 2D Image | neo-Antimycin | C36H46N2O12

neo-Antimycin

  • Molecular FormulaC36H46N2O12
  • Average mass698.757 Da
  • Monoisotopic mass698.305054 Da
  • ChemSpider ID10276075

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

N-{(3S,6S,7R,10S,14S,15S)-15-Benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-3-formamido-2-hydroxybenzamid (non-preferred n ame) [German] [ACD/IUPAC Name]
N-{(3S,6S,7R,10S,14S,15S)-15-Benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-3-formamido-2-hydroxybenzamide (non-preferred name) [ACD/IUPAC Name]
N-{(3S,6S,7R,10S,14S,15S)-15-Benzyl-10-[(2S)-2-butanyl]-14-hydroxy-3-isopropyl-7,13,13-triméthyl-2,5,9,12-tétraoxo-1,4,8,11-tétraoxacyclopentadécan-6-yl}-3-formamido-2-hydroxybenzamide (non-preferred name) [French] [ACD/IUPAC Name]
N-{(3S,6S,7R,10S,14S,15S)-15-Benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadecan-6-yl}-3-formamido-2-hydroxybenzamide (non-preferred name)
neo-Antimycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 516.5±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.80
ACD/KOC (pH 5.5): 1715.55
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 120.26
ACD/KOC (pH 7.4): 886.23
Polar Surface Area: 204 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 538.7±5.0 cm3

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