ChemSpider 2D Image | 2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)-N,N-bis(2-hydroxyethyl)acetamide | C24H29ClN2O9

2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)-N,N-bis(2-hydroxyethyl)acetamide

  • Molecular FormulaC24H29ClN2O9
  • Average mass524.948 Da
  • Monoisotopic mass524.156128 Da
  • ChemSpider ID10002144

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chlor-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-yliden]amino}oxy)-N,N-bis(2-hydroxyethyl)acetamid [German] [ACD/IUPAC Name]
2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-methyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino}oxy)-N,N-bis(2-hydroxyethyl)acetamide [ACD/IUPAC Name]
2-({(Z)-[(1aR,2E,4E,14R,15aR)-8-Chloro-9,11-dihydroxy-14-méthyl-12-oxo-1a,7,12,14,15,15a-hexahydro-6H-oxiréno[e][2]benzoxacyclotétradécin-6-ylidène]amino}oxy)-N,N-bis(2-hydroxyéthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[[(1aR,2E,4E,6Z,14R,15aR)-8-chloro-1a,7,12,14,15,15a-hexahydro-9,11-dihydroxy-14-methyl-12-oxo-6H-oxireno[e][2]benzoxacyclotetradecin-6-ylidene]amino]oxy]-N,N-bis(2-hydroxyethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.9±37.1 °C
Index of Refraction: 1.619
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.32
ACD/KOC (pH 5.5): 186.03
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.08
Polar Surface Area: 162 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 360.0±7.0 cm3

Click to predict properties on the Chemicalize site


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