ChemSpider 2D Image | 2-Methyl-2-propanyl [(3S,6R,8Z,11S)-6-{2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate | C28H40N2O7

2-Methyl-2-propanyl [(3S,6R,8Z,11S)-6-{2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate

  • Molecular FormulaC28H40N2O7
  • Average mass516.626 Da
  • Monoisotopic mass516.283569 Da
  • ChemSpider ID26646779

  • 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

[(3S,6R,8Z,11S)-6-{2-[Benzyl(2-hydroxyéthyl)amino]-2-oxoéthyl}-3-méthyl-5,12-dioxo-1-oxa-4-azacyclododéc-8-én-11-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Oxa-4-azacyclododec-8-ene-11-acetic acid, 6-[2-[(2-hydroxyethyl)(phenylmethyl)amino]-2-oxoethyl]-3-methyl-5,12-dioxo-, 1,1-dimethylethyl ester, (3S,6R,8Z,11S)- [ACD/Index Name]
2-Methyl-2-propanyl [(3S,6R,8Z,11S)-6-{2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S,6R,8Z,11S)-6-{2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl}-3-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.509
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.51
ACD/KOC (pH 5.5): 518.24
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.51
ACD/KOC (pH 7.4): 518.24
Polar Surface Area: 122 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 463.0±3.0 cm3

Click to predict properties on the Chemicalize site


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