ChemSpider 2D Image | Mauritine A | C32H41N5O5

Mauritine A

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID9528603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,7S,10S)-10-Benzyl-6-(N,N-dimethyl-L-alanyl-L-valyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen [German] [ACD/IUPAC Name]
(3S,7S,10S)-10-Benzyl-6-(N,N-dimethyl-L-alanyl-L-valyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene [ACD/IUPAC Name]
(3S,7S,10S)-10-Benzyl-6-(N,N-diméthyl-L-alanyl-L-valyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadéca-1(17),13,15,18-tétraène [French] [ACD/IUPAC Name]
38478-72-7 [RN]
Mauritine A
Propanamide, 2-(dimethylamino)-N-[(1S)-2-methyl-1-[[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbo nyl]propyl]-, (2S)- [ACD/Index Name]
Propanamide, 2-(dimethylamino)-N-[(1S)-2-methyl-1-[[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]propyl]-, (2S)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 864.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 476.9±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 18.20
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 55.55
ACD/KOC (pH 7.4): 539.07
Polar Surface Area: 120 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 493.3±3.0 cm3

Click to predict properties on the Chemicalize site


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