ChemSpider 2D Image | saframycin A | C29H30N4O8

saframycin A

  • Molecular FormulaC29H30N4O8
  • Average mass562.570 Da
  • Monoisotopic mass562.206360 Da
  • ChemSpider ID16738394
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

N-{[(1R,2S,10R,12R,13S)-12-Cyan-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-{[(1R,2S,10R,12R,13S)-12-Cyano-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-oxopropanami de [ACD/IUPAC Name]
N-{[(1R,2S,10R,12R,13S)-12-Cyano-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-oxopropanami de [French] [ACD/IUPAC Name]
N-{[(1R,2S,10R,12R,13S)-12-Cyano-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
Propanamide, N-[[(6S,7R,9R,14aS,15R)-7-cyano-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]
saframycin A
21-cyanosaframycin B
21-Cyanosaframycin-B
66082-27-7 [RN]
C29H30N4O8
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 325663 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.51
ACD/KOC (pH 5.5): 402.00
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.51
ACD/KOC (pH 7.4): 401.99
Polar Surface Area: 163 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

Click to predict properties on the Chemicalize site