Found 3 results

Search term: MF = 'C_{41}H_{39}N_{3}O_{9}'
ChemSpider 2D Image | Benzyl (1R,12R)-7-(benzyloxy)-12-[6,7-dimethoxy-1-(methoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]-4,16-dioxo-5,15-diazatetracyclo[10.3.1.0~1,5~.0~6,11~]hexadeca-6,8,10-triene-15-carboxylate | C41H39N3O9

Benzyl (1R,12R)-7-(benzyloxy)-12-[6,7-dimethoxy-1-(methoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]-4,16-dioxo-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-triene-15-carboxylate

  • Molecular FormulaC41H39N3O9
  • Average mass717.763 Da
  • Monoisotopic mass717.268616 Da
  • ChemSpider ID75555090

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,12R)-7-(Benzyloxy)-12-[6,7-diméthoxy-1-(méthoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]-4,16-dioxo-5,15-diazatétracyclo[10.3.1.01,5.06,11]hexadéca-6,8,10-triène-15-carboxylate de benzyle [French] [ACD/IUPAC Name]
1H-3a,7-Methanopyrrolo[1,2-a][1,3]benzodiazocine-4(5H)-carboxylic acid, 7-[2,3-dihydro-6,7-dimethoxy-1-(methoxycarbonyl)-1H-indol-5-yl]-2,3,6,7-tetrahydro-1,13-dioxo-11-(phenylmethoxy)-, phenylmethyl ester, (3aR,7R)- [ACD/Index Name]
Benzyl (1R,12R)-7-(benzyloxy)-12-[6,7-dimethoxy-1-(methoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]-4,16-dioxo-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-triene-15-carboxylate [ACD/IUPAC Name]
Benzyl-(1R,12R)-7-(benzyloxy)-12-[6,7-dimethoxy-1-(methoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]-4,16-dioxo-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-15-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 895.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 495.6±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 192.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7826.26
ACD/KOC (pH 5.5): 21310.62
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7826.31
ACD/KOC (pH 7.4): 21310.76
Polar Surface Area: 124 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 501.5±5.0 cm3

Click to predict properties on the Chemicalize site


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