ChemSpider 2D Image | aureobasidin A | C60H92N8O10

aureobasidin A

  • Molecular FormulaC60H92N8O10
  • Average mass1085.420 Da
  • Monoisotopic mass1084.693604 Da
  • ChemSpider ID26332345

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3R,6S,9S,12S,15S,21S,24S,29aS)-21,24-Dibenzyl-15-[(2R)-2-butanyl]-9-isobutyl-6,12,18-triisopropyl-5,11,23-trimethyl-3-[(2R)-3-methyl-2-butanyl]octadecahydro-1H,15H-pyrrolo[1,2-m][1,4,7,10,13,16,19,22 ,25]oxaoctaazacycloheptacosin-1,4,7,10,13,16,19,22,25-nonon [German] [ACD/IUPAC Name]
(3R,6S,9S,12S,15S,21S,24S,29aS)-21,24-Dibenzyl-15-[(2R)-2-butanyl]-9-isobutyl-6,12,18-triisopropyl-5,11,23-trimethyl-3-[(2R)-3-methyl-2-butanyl]octadecahydro-1H,15H-pyrrolo[1,2-m][1,4,7,10,13,16,19,22 ,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone [ACD/IUPAC Name]
(3R,6S,9S,12S,15S,21S,24S,29aS)-21,24-Dibenzyl-15-[(2R)-2-butanyl]-9-isobutyl-6,12,18-triisopropyl-5,11,23-triméthyl-3-[(2R)-3-méthyl-2-butanyl]octadécahydro-1H,15H-pyrrolo[1,2-m][1,4,7,10,13,16,19,22 ,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone [French] [ACD/IUPAC Name]
1H,15H-Pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone, 3-[(1R)-1,2-dimethylpropyl]octadecahydro-5,11,23-trimethyl-6,12,18-tris(1-methylethyl)-15-[(1R) -1-methylpropyl]-9-(2-methylpropyl)-21,24-bis(phenylmethyl)-, (3R,6S,9S,12S,15S,21S,24S,29aS)- [ACD/Index Name]
aureobasidin A
basifungin [INN_en]
(3R,6S,9S,12S,15S,21S,24S,29aS)-21,24-dibenzyl-15-[(2R)-butan-2-yl]-9-isobutyl-6,12,18-triisopropyl-5,11,23-trimethyl-3-[(2R)-3-methylbutan-2-yl]octadecahydro-1H,15H-pyrrolo[1,2-m][1,4,7,10,13,16,19,2
(3R,6S,9S,12S,15S,21S,24S,29aS)-21,24-dibenzyl-15-[(2R)-butan-2-yl]-9-isobutyl-6,12,18-triisopropyl-5,11,23-trimethyl-3-[(2R)-3-methylbutan-2-yl]octadecahydro-1H,15H-pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone
(3S,6S,9S,12S,15S,18S,21S,24R,27S)-12,24-bis[(2R)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-3,6-bis(phenylmethyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nononeAntibiotic R106I
127785-64-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 1220.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 182.1±3.0 kJ/mol
Flash Point: 691.7±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 302.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.98
ACD/KOC (pH 5.5): 4657.51
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 935.96
ACD/KOC (pH 7.4): 4657.45
Polar Surface Area: 224 Å2
Polarizability: 119.8±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 925.4±5.0 cm3

Click to predict properties on the Chemicalize site


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