ChemSpider 2D Image | geodiamolide H | C34H44IN3O7

geodiamolide H

  • Molecular FormulaC34H44IN3O7
  • Average mass733.633 Da
  • Monoisotopic mass733.222412 Da
  • ChemSpider ID4977358

  • 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

(4R,7R,10S,13S,15E,17R,19R)-7-(4-Hydroxy-3-iodbenzyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19R)-7-(4-Hydroxy-3-iodobenzyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
(4R,7R,10S,13S,15E,17R,19R)-7-(4-Hydroxy-3-iodobenzyl)-4-(4-hydroxyphényl)-8,10,13,15,17,19-hexaméthyl-1-oxa-5,8,11-triazacyclononadéc-15-ène-2,6,9,12-tétrone [French] [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-[(4-hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,7R,10S,13S,15E,17R,19R)- [ACD/Index Name]
geodiamolide H

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

AIDS093497 [DBID]
AIDS-093497 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 910.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 504.2±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 179.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.16
ACD/KOC (pH 5.5): 3055.46
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 476.54
ACD/KOC (pH 7.4): 2804.59
Polar Surface Area: 145 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 569.9±3.0 cm3

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