Found 1 result

Search term: 78436473 (Found by CSID)
ChemSpider 2D Image | (2R)-N-{(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-Dibenzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl}-2,3-dihydroxyp ropanamide | C43H60N6O11

(2R)-N-{(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-Dibenzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl}-2,3-dihydroxyp ropanamide

  • Molecular FormulaC43H60N6O11
  • Average mass836.970 Da
  • Monoisotopic mass836.432007 Da
  • ChemSpider ID78436473

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-N-{(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-Dibenzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl}-2,3-dihydroxyp ropanamid [German] [ACD/IUPAC Name]
(2R)-N-{(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-Dibenzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-isobutyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl}-2,3-dihydroxyp ropanamide [ACD/IUPAC Name]
(2R)-N-{(2S,5S,8S,11R,12S,15S,18S,21R)-2,5-Dibenzyl-8-[(2S)-2-butanyl]-21-hydroxy-15-isobutyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl}-2,3-dihydroxyp ropanamide [French] [ACD/IUPAC Name]
Propanamide, 2,3-dihydroxy-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-4,11-dimethyl-8-[(1S)-1-methylpropyl]-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-2,5-bis(phenylmethyl)-10-oxa-1,4,7,14,17-pentaa zabicyclo[16.3.1]docos-12-yl]-, (2R)- [ACD/Index Name]
micropeptin MM836

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1185.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.0±3.0 kJ/mol
Flash Point: 670.9±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 220.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.61
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.61
Polar Surface Area: 244 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 637.1±5.0 cm3

Click to predict properties on the Chemicalize site


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