ChemSpider 2D Image | (3S,10R,13E,16S)-3-Isobutyl-6,6-dimethyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-10-(1-pyrrolidinyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | C32H45N3O6

(3S,10R,13E,16S)-3-Isobutyl-6,6-dimethyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-10-(1-pyrrolidinyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

  • Molecular FormulaC32H45N3O6
  • Average mass567.716 Da
  • Monoisotopic mass567.330811 Da
  • ChemSpider ID8849881

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,10R,13E,16S)-3-Isobutyl-6,6-dimethyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-10-(1-pyrrolidinyl)-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(3S,10R,13E,16S)-3-Isobutyl-6,6-dimethyl-16-[(2R,3E)-4-phenyl-3-buten-2-yl]-10-(1-pyrrolidinyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(3S,10R,13E,16S)-3-Isobutyl-6,6-diméthyl-16-[(2R,3E)-4-phényl-3-butén-2-yl]-10-(1-pyrrolidinyl)-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
(3S,10R,13E,16S)-6,6-dimethyl-3-(2-methylpropyl)-16-[(2R,3E)-4-phenylbut-3-en-2-yl]-10-(pyrrolidin-1-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 6,6-dimethyl-16-[(1R,2E)-1-methyl-3-phenyl-2-propen-1-yl]-3-(2-methylpropyl)-10-(1-pyrrolidinyl)-, (3S,10R,13E,16S)- [ACD/Index Name]
(E)-(3S,10R,16S)-3-Isobutyl-6,6-dimethyl-16-((E)-(R)-1-methyl-3-phenyl-allyl)-10-pyrrolidin-1-yl-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 810.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.9±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 53.26
ACD/KOC (pH 5.5): 477.39
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.53
ACD/KOC (pH 7.4): 1044.42
Polar Surface Area: 114 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 521.0±3.0 cm3

Click to predict properties on the Chemicalize site


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