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Search term: 8803978 (Found by CSID)
ChemSpider 2D Image | exumolide B | C40H53N5O7

exumolide B

  • Molecular FormulaC40H53N5O7
  • Average mass715.878 Da
  • Monoisotopic mass715.394470 Da
  • ChemSpider ID8803978

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S,9S,12S,14aS,20S,22aS)-6,9-Dibenzyl-12,20-diisobutyldodecahydro-1H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16]oxapentaazacyclooctadecin-5,8,11,14,19,22(20H,22aH)-hexon [German] [ACD/IUPAC Name]
(6S,9S,12S,14aS,20S,22aS)-6,9-Dibenzyl-12,20-diisobutyldodecahydro-1H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16]oxapentaazacyclooctadecine-5,8,11,14,19,22(20H,22aH)-hexone [ACD/IUPAC Name]
(6S,9S,12S,14aS,20S,22aS)-6,9-Dibenzyl-12,20-diisobutyldodécahydro-1H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16]oxapentaazacyclooctadécine-5,8,11,14,19,22(20H,22aH)-hexone [French] [ACD/IUPAC Name]
1H-Dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16]oxapentaazacyclooctadecine-5,8,11,14,19,22(20H,22aH)-hexone, dodecahydro-12,20-bis(2-methylpropyl)-6,9-bis(phenylmethyl)-, (6S,9S,12S,14aS,20S,22aS)- [ACD/Index Name]
exumolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1012.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 565.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 196.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.63
ACD/KOC (pH 5.5): 354.82
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.63
ACD/KOC (pH 7.4): 354.82
Polar Surface Area: 154 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 573.2±5.0 cm3

Click to predict properties on the Chemicalize site


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