ChemSpider 2D Image | (4E,6S,7E,9S,10E,12S,13E,15S)-12-[(2R)-2-Butanyl]-19-hexyl-5,8,11,14-tetrahydroxy-6-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,1 3-tetraene-2,17-dione | C32H57N5O9

(4E,6S,7E,9S,10E,12S,13E,15S)-12-[(2R)-2-Butanyl]-19-hexyl-5,8,11,14-tetrahydroxy-6-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,1 3-tetraene-2,17-dione

  • Molecular FormulaC32H57N5O9
  • Average mass655.823 Da
  • Monoisotopic mass655.415649 Da
  • ChemSpider ID57261147

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(4E,6S,7E,9S,10E,12S,13E,15S)-12-[(2R)-2-Butanyl]-19-hexyl-5,8,11,14-tetrahydroxy-6-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,1 3-tetraen-2,17-dion [German] [ACD/IUPAC Name]
(4E,6S,7E,9S,10E,12S,13E,15S)-12-[(2R)-2-Butanyl]-19-hexyl-5,8,11,14-tetrahydroxy-6-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-15-isobutyl-16,18-dimethyl-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,1 3-tetraene-2,17-dione [ACD/IUPAC Name]
(4E,6S,7E,9S,10E,12S,13E,15S)-12-[(2R)-2-Butanyl]-19-hexyl-5,8,11,14-tétrahydroxy-6-[(1S)-1-hydroxyéthyl]-9-(hydroxyméthyl)-15-isobutyl-16,18-diméthyl-1-oxa-4,7,10,13,16-pentaazacyclononadéca-4,7,10,1 3-tétraène-2,17-dione [French] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13-tetraene-2,17-dione, 19-hexyl-5,8,11,14-tetrahydroxy-6-[(1S)-1-hydroxyethyl]-9-(hydroxymethyl)-16,18-dimethyl-12-[(1R)-1-methylpropyl]-15-(2-methylpr opyl)-, (4E,6S,7E,9S,10E,12S,13E,15S)- [ACD/Index Name]
67076-74-8 [RN]
globomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 908.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.0±6.0 kJ/mol
Flash Point: 503.4±37.1 °C
Index of Refraction: 1.562
Molar Refractivity: 170.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 525.4±7.0 cm3

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