Found 1 result

Search term: 9760696 (Found by CSID)
ChemSpider 2D Image | (3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-2-Butanyl]-24-hydroxy-6,15,18-triisopropyl-3,4,10,13,21,25-hexamethyl-26-[(2E)-2-penten-2-yl]-1,19-dioxa-4,7,10,13,16-pentaazacyclohexacos-21-ene-2,5,8,11, 14,17,20-heptone | C43H73N5O10

(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-2-Butanyl]-24-hydroxy-6,15,18-triisopropyl-3,4,10,13,21,25-hexamethyl-26-[(2E)-2-penten-2-yl]-1,19-dioxa-4,7,10,13,16-pentaazacyclohexacos-21-ene-2,5,8,11, 14,17,20-heptone

  • Molecular FormulaC43H73N5O10
  • Average mass820.067 Da
  • Monoisotopic mass819.535767 Da
  • ChemSpider ID9760696

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-2-Butanyl]-24-hydroxy-6,15,18-triisopropyl-3,4,10,13,21,25-hexamethyl-26-[(2E)-2-penten-2-yl]-1,19-dioxa-4,7,10,13,16-pentaazacyclohexacos-21-en-2,5,8,11,1 4,17,20-hepton [German] [ACD/IUPAC Name]
(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-2-Butanyl]-24-hydroxy-6,15,18-triisopropyl-3,4,10,13,21,25-hexamethyl-26-[(2E)-2-penten-2-yl]-1,19-dioxa-4,7,10,13,16-pentaazacyclohexacos-21-ene-2,5,8,11, 14,17,20-heptone [ACD/IUPAC Name]
(3S,6S,12S,15S,18R,21E,24S,25S,26S)-12-[(2R)-2-Butanyl]-24-hydroxy-6,15,18-triisopropyl-3,4,10,13,21,25-hexaméthyl-26-[(2E)-2-pentén-2-yl]-1,19-dioxa-4,7,10,13,16-pentaazacyclohexacos-21-ène-2,5,8,11, 14,17,20-heptone [French] [ACD/IUPAC Name]
1,19-Dioxa-4,7,10,13,16-pentaazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone, 24-hydroxy-3,4,10,13,21,25-hexamethyl-26-[(1E)-1-methyl-1-buten-1-yl]-6,15,18-tris(1-methylethyl)-12-[(1R)-1-methylpropyl ]-, (3S,6S,12S,15S,18R,21E,24S,25S,26S)- [ACD/Index Name]
aurilide C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1012.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.5±6.0 kJ/mol
Flash Point: 566.3±34.3 °C
Index of Refraction: 1.470
Molar Refractivity: 221.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.82
ACD/KOC (pH 5.5): 650.82
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.81
ACD/KOC (pH 7.4): 650.81
Polar Surface Area: 192 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 794.3±3.0 cm3

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