ChemSpider 2D Image | Methyl (5S)-5-C-[(2S,5S,6S)-5-carboxy-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]-2,3-O-isopropylidene-beta-D-ribofuranoside | C17H28N2O9

Methyl (5S)-5-C-[(2S,5S,6S)-5-carboxy-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]-2,3-O-isopropylidene-β-D-ribofuranoside

  • Molecular FormulaC17H28N2O9
  • Average mass404.412 Da
  • Monoisotopic mass404.179474 Da
  • ChemSpider ID73980772

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5S)-5-C-[(2S,5S,6S)-5-Carboxy-6-hydroxy-1,4-diméthyl-3-oxo-1,4-diazépan-2-yl]-2,3-O-isopropylidène-β-D-ribofuranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5S)-5-C-[(2S,5S,6S)-5-carboxy-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]-2,3-O-isopropylidene-β-D-ribofuranoside [ACD/IUPAC Name]
Methyl-(5S)-5-C-[(2S,5S,6S)-5-carboxy-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]-2,3-O-isopropyliden-β-D-ribofuranosid [German] [ACD/IUPAC Name]
β-D-Ribofuranoside, methyl 5-C-[(2S,5S,6S)-5-carboxyhexahydro-6-hydroxy-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-2,3-O-(1-methylethylidene)-, (5S)- [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: 622.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 280.8±5.0 cm3

Click to predict properties on the Chemicalize site


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