ChemSpider 2D Image | 10-Benzyl-6-(N,N-dimethylalanylvalyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0~3,7~]nonadeca-1(17),13,15,18-tetraene | C32H41N5O5

10-Benzyl-6-(N,N-dimethylalanylvalyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID4477635

  • Double-bond stereo - Double-bond stereo

More details:

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

10-Benzyl-6-(N,N-dimethylalanylvalyl)-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]
10-Benzyl-6-(N,N-dimethylalanylvalyl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene [ACD/IUPAC Name]
10-Benzyl-6-(N,N-diméthylalanylvalyl)-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]
Propanamide, 2-(dimethylamino)-N-[2-methyl-1-[[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]- [ACD/Index Name]
(Z)-N-{1-[(8E,11E,13Z)-10-benzyl-8,11-dihydroxy-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl}-2-(dimethylamino)propimidic acid
Mauritine A

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

NSC219852 [DBID]

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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