Found 1 result

Search term: 8730105 (Found by CSID)
ChemSpider 2D Image | [(1R,2S,10R,12S,13S,15R)-15-(Dihydroxymethyl)-12-hydroxy-7-methoxy-6-methyl-5,8-dioxo-11,16-diazatetracyclo[11.2.1.0~2,11~.0~4,9~]hexadeca-4(9),6-dien-10-yl]methyl 2,4,6-trideoxy-4-(dimethylamino)-3-C -methyl-alpha-L-lyxo-hexopyranoside | C27H41N3O9

[(1R,2S,10R,12S,13S,15R)-15-(Dihydroxymethyl)-12-hydroxy-7-methoxy-6-methyl-5,8-dioxo-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),6-dien-10-yl]methyl 2,4,6-trideoxy-4-(dimethylamino)-3-C -methyl-α-L-lyxo-hexopyranoside

  • Molecular FormulaC27H41N3O9
  • Average mass551.629 Da
  • Monoisotopic mass551.284302 Da
  • ChemSpider ID8730105

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,2S,10R,12S,13S,15R)-15-(Dihydroxymethyl)-12-hydroxy-7-methoxy-6-methyl-5,8-dioxo-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),6-dien-10-yl]methyl 2,4,6-trideoxy-4-(dimethylamino)-3-C -methyl-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
[(1R,2S,10R,12S,13S,15R)-15-(Dihydroxymethyl)-12-hydroxy-7-methoxy-6-methyl-5,8-dioxo-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),6-dien-10-yl]methyl-2,4,6-tridesoxy-4-(dimethylamino)-3- C-methyl-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,4,6-Tridésoxy-4-(diméthylamino)-3-C-méthyl-α-L-lyxo-hexopyranoside de [(1R,2S,10R,12S,13S,15R)-15-(dihydroxyméthyl)-12-hydroxy-7-méthoxy-6-méthyl-5,8-dioxo-11,16-diazatétracyclo[11.2.1.02,11.0 4,9]hexadéca-4(9),6-dién-10-yl]méthyle [French] [ACD/IUPAC Name]
8,11-Iminoazepino[1,2-b]isoquinoline-1,4-dione, 10-(dihydroxymethyl)-5,7,8,9,10,11,11a,12-octahydro-7-hydroxy-3-methoxy-2-methyl-5-[[[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyran osyl]oxy]methyl]-, (5R,7S,8S,10R,11R,11aS)- [ACD/Index Name]
Lemonomycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 760.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 161 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

Click to predict properties on the Chemicalize site


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