ChemSpider 2D Image | N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-2-oxopropanamide | C28H31N3O9

N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-2-oxopropanamide

  • Molecular FormulaC28H31N3O9
  • Average mass553.560 Da
  • Monoisotopic mass553.206055 Da
  • ChemSpider ID150142

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-2-oxopropanamid [German] [ACD/IUPAC Name]
N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}-2-oxopropanamide [ACD/IUPAC Name]
N-{[(1S,2S,10R,13S)-16,19-Dihydroxy-7,18-diméthoxy-6,17,21-triméthyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4(9),6,15,17,19-pentaén-10-yl]méthyl}-2-oxopropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[[(6S,9R,14aS,15S)-6,7,9,10,13,14,14a,15-octahydro-1,4-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-5,10,13-trioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxo- [ACD/Index Name]
66082-30-2 [RN]
Propanamide, N-((6,7,9,10,13,14,14a,15-octahydro-1,4-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-5,10,13-trioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-oxo-, (6R-(6-α,9-β,14a-α,15-α))-
saframycin D

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.63
ACD/KOC (pH 5.5): 402.45
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 24.63
ACD/KOC (pH 7.4): 323.58
Polar Surface Area: 163 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 370.4±5.0 cm3

Click to predict properties on the Chemicalize site


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