ChemSpider 2D Image | (11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside | C24H33N3O7

(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-α-L-mannopyranoside

  • Molecular FormulaC24H33N3O7
  • Average mass475.535 Da
  • Monoisotopic mass475.231842 Da
  • ChemSpider ID129308803

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-α-L-mannopyranoside [ACD/IUPAC Name]
(11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-1-propen-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl-4,6-didesoxy-3-C-methyl-4-(methylamino)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4,6-Didésoxy-3-C-méthyl-4-(méthylamino)-α-L-mannopyranoside de (11R,11aS)-9,11-dihydroxy-8-méthyl-5-oxo-2-[(1E)-1-propén-1-yl]-5,10,11,11a-tétrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazépin-7-yle [French] [ACD/IUPAC Name]
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-α-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-[(1E)-1-propen-1-yl]-, (11R,11aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 755.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.9±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 144 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 336.0±5.0 cm3

Click to predict properties on the Chemicalize site


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