Found 111 results

Search term: MF = 'C_{30}H_{42}N_{2}O_{8}'
ChemSpider 2D Image | (3S,10R,13E,16S)-10-[(1S)-1-Hydroxyethyl]-3-isobutyl-6,6-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | C30H42N2O8

(3S,10R,13E,16S)-10-[(1S)-1-Hydroxyethyl]-3-isobutyl-6,6-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

  • Molecular FormulaC30H42N2O8
  • Average mass558.663 Da
  • Monoisotopic mass558.294128 Da
  • ChemSpider ID8682441

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,10R,13E,16S)-10-[(1S)-1-Hydroxyethyl]-3-isobutyl-6,6-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(3S,10R,13E,16S)-10-[(1S)-1-Hydroxyethyl]-3-isobutyl-6,6-dimethyl-16-{(1S)-1-[(2R,3R)-3-phenyl-2-oxiranyl]ethyl}-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(3S,10R,13E,16S)-10-[(1S)-1-Hydroxyéthyl]-3-isobutyl-6,6-diméthyl-16-{(1S)-1-[(2R,3R)-3-phényl-2-oxiranyl]éthyl}-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(1S)-1-hydroxyethyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiranyl]ethyl]-, (3S,10R,13E,16S)- [ACD/Index 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: 828.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 136.44
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 7.4): 136.44
Polar Surface Area: 144 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 496.4±3.0 cm3

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