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Search term: 27024730 (Found by CSID)
ChemSpider 2D Image | lyngbyastatin 9 | C49H68N8O12

lyngbyastatin 9

  • Molecular FormulaC49H68N8O12
  • Average mass961.111 Da
  • Monoisotopic mass960.495667 Da
  • ChemSpider ID27024730

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

L-Valinamide, N-(1-oxobutyl)-L-alanyl-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-8-(1-methylethyl)-3,6,9,13,16,22-hexaoxo-2-(phenylmethyl)-10- oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]- [ACD/Index Name]
lyngbyastatin 9
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethyliden-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]doc os-12-yl]-L-valinamid [German] [ACD/IUPAC Name]
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]do cos-12-yl]-L-valinamide [ACD/IUPAC Name]
N-Butyryl-L-alanyl-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-éthylidène-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]do cos-12-yl]-L-valinamide [French] [ACD/IUPAC Name]
bouillomide A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1322.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 208.5±3.0 kJ/mol
Flash Point: 753.8±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 253.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.17
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.09
Polar Surface Area: 282 Å2
Polarizability: 100.6±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 736.3±5.0 cm3

Click to predict properties on the Chemicalize site


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