ChemSpider 2D Image | saframycin C | C29H33N3O9

saframycin C

  • Molecular FormulaC29H33N3O9
  • Average mass567.587 Da
  • Monoisotopic mass567.221680 Da
  • ChemSpider ID10379111

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Oxo-N-{[(1R,2S,10R,13R,14S)-7,14,18-trimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}propanamid [German] [ACD/IUPAC Name]
2-Oxo-N-{[(1R,2S,10R,13R,14S)-7,14,18-trimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}propanamide [ACD/IUPAC Name]
2-Oxo-N-{[(1R,2S,10R,13R,14S)-7,14,18-triméthoxy-6,17,21-triméthyl-5,8,16,19-tétraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4(9),6,15(20),17-tétraén-10-yl]méthyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[[(5S,6R,9R,14aS,15R)-1,5,6,7,9,10,13,14,14a,15-decahydro-2,5,11-trimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-2-oxo- [ACD/Index Name]
saframycin C
2-oxo-n-{[(5s,6r,9r,14as,15r)-2,5,11-trimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4h-6,15-epiminoisoquino[3,2-b][3]benzazocin-9-yl]methyl}propanamide
66082-29-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.27
ACD/KOC (pH 5.5): 436.78
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.29
ACD/KOC (pH 7.4): 437.04
Polar Surface Area: 149 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 403.1±5.0 cm3

Click to predict properties on the Chemicalize site


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