ChemSpider 2D Image | (8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.0~2,7~.0~10,12~]tetradeca-2,4,6-trien-9-yl acetate | C19H21N3O8

(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate

  • Molecular FormulaC19H21N3O8
  • Average mass419.385 Da
  • Monoisotopic mass419.132874 Da
  • ChemSpider ID29787016
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl acetate [ACD/IUPAC Name]
(8R,9S,10S,12S)-11-Acetyl-8-[(carbamoyloxy)methyl]-4-formyl-6-methoxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2,4,6-trien-9-yl-acetat [German] [ACD/IUPAC Name]
3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)- [ACD/Index Name]
Acétate de (8R,9S,10S,12S)-11-acétyl-8-[(carbamoyloxy)méthyl]-4-formyl-6-méthoxy-14-oxa-1,11-diazatétracyclo[7.4.1.02,7.010,12]tétradéca-2,4,6-trién-9-yle [French] [ACD/IUPAC Name]
(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate
102409-92-7 [RN]
NOCAS_48166

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.27
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.27
Polar Surface Area: 137 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 275.9±5.0 cm3

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