ChemSpider 2D Image | Malformin A1 | C22H37N5O5S2

Malformin A1

  • Molecular FormulaC22H37N5O5S2
  • Average mass515.690 Da
  • Monoisotopic mass515.223633 Da
  • ChemSpider ID61708684

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,4S,7R,10S,13S)-4-[(2S)-2-Butanyl]-7-isobutyl-10-isopropyl-15,16-dithia-2,5,8,11,18-pentaazabicyclo[11.3.2]octadecan-3,6,9,12,17-penton [German] [ACD/IUPAC Name]
(1R,4S,7R,10S,13S)-4-[(2S)-2-Butanyl]-7-isobutyl-10-isopropyl-15,16-dithia-2,5,8,11,18-pentaazabicyclo[11.3.2]octadecane-3,6,9,12,17-pentone [ACD/IUPAC Name]
(1R,4S,7R,10S,13S)-4-[(2S)-2-Butanyl]-7-isobutyl-10-isopropyl-15,16-dithia-2,5,8,11,18-pentaazabicyclo[11.3.2]octadécane-3,6,9,12,17-pentone [French] [ACD/IUPAC Name]
15,16-Dithia-2,5,8,11,18-pentaazabicyclo[11.3.2]octadecane-3,6,9,12,17-pentone, 10-(1-methylethyl)-4-[(1S)-1-methylpropyl]-7-(2-methylpropyl)-, (1R,4S,7R,10S,13S)- [ACD/Index Name]
Malformin A1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 919.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 509.8±34.3 °C
Index of Refraction: 1.500
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.90
ACD/KOC (pH 5.5): 228.84
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.90
ACD/KOC (pH 7.4): 228.83
Polar Surface Area: 196 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 453.6±3.0 cm3

Click to predict properties on the Chemicalize site


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