ChemSpider 2D Image | (3S,6R,9S,12S,14E,16R,18S)-6-(3-Bromo-4-hydroxybenzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone | C28H40BrN3O6

(3S,6R,9S,12S,14E,16R,18S)-6-(3-Bromo-4-hydroxybenzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone

  • Molecular FormulaC28H40BrN3O6
  • Average mass594.538 Da
  • Monoisotopic mass593.210022 Da
  • ChemSpider ID4579606

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,6R,9S,12S,14E,16R,18S)-6-(3-Brom-4-hydroxybenzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-en-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(3S,6R,9S,12S,14E,16R,18S)-6-(3-Bromo-4-hydroxybenzyl)-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone [ACD/IUPAC Name]
(3S,6R,9S,12S,14E,16R,18S)-6-(3-Bromo-4-hydroxybenzyl)-3,7,9,12,14,16,18-heptaméthyl-1-oxa-4,7,10-triazacyclooctadéc-14-ène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone, 6-[(3-bromo-4-hydroxyphenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-, (3S,6R,9S,12S,14E,16R,18S)- [ACD/Index Name]
geodiamolide B

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

NSC681481 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 815.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 447.0±34.3 °C
Index of Refraction: 1.501
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.00
ACD/KOC (pH 5.5): 675.16
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 57.16
ACD/KOC (pH 7.4): 612.62
Polar Surface Area: 125 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 503.6±3.0 cm3

Click to predict properties on the Chemicalize site


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