ChemSpider 2D Image | N-{[(1S,2S,10R,13R)-7,18-Dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide | C28H31N3O8

N-{[(1S,2S,10R,13R)-7,18-Dimethoxy-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}-2-oxopropanamide

  • Molecular FormulaC28H31N3O8
  • Average mass537.561 Da
  • Monoisotopic mass537.211121 Da
  • ChemSpider ID21254103

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-{[(1S,2S,10R,13R)-7,18-Dimethoxy-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}-2-oxopropanamid [German] [ACD/IUPAC Name]
N-{[(1S,2S,10R,13R)-7,18-Dimethoxy-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}-2-oxopropanamide [ACD/IUPAC Name]
N-{[(1S,2S,10R,13R)-7,18-Diméthoxy-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}-2-oxopropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[[(6R,9R,14aS,15S)-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-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]
66082-28-8 [RN]
75425-66-0 [RN]
saframycin B
SAFRAMYCIN S

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: 1.627
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.49
ACD/KOC (pH 5.5): 401.43
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.59
ACD/KOC (pH 7.4): 402.67
Polar Surface Area: 139 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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