Found 17 results

Search term: MF = 'C_{36}H_{53}N_{3}O_{10}'
ChemSpider 2D Image | Benzyl (2R,3R,5S)-2-[(1R,3S)-8-hydroxy-5,7-dimethoxy-6-methyl-1-({[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl]oxy}methyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]-3,5-bis(hydrox ymethyl)-1-pyrrolidinecarboxylate | C36H53N3O10

Benzyl (2R,3R,5S)-2-[(1R,3S)-8-hydroxy-5,7-dimethoxy-6-methyl-1-({[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]oxy}methyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]-3,5-bis(hydrox ymethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC36H53N3O10
  • Average mass687.820 Da
  • Monoisotopic mass687.373108 Da
  • ChemSpider ID9368349

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,5S)-2-[(1R,3S)-8-Hydroxy-5,7-diméthoxy-6-méthyl-1-({[2,4,6-tridésoxy-4-(diméthylamino)-3-C-méthyl-α-L-lyxo-hexopyranosyl]oxy}méthyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]-3,5-bis(hydroxyméth yl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3,5-bis(hydroxymethyl)-2-[(1R,3S)-1,2,3,4-tetrahydro-8-hydroxy-5,7-dimethoxy-6-methyl-1-[[[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]oxy]meth yl]-3-isoquinolinyl]-, phenylmethyl ester, (2R,3R,5S)- [ACD/Index Name]
Benzyl (2R,3R,5S)-2-[(1R,3S)-8-hydroxy-5,7-dimethoxy-6-methyl-1-({[2,4,6-trideoxy-4-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]oxy}methyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]-3,5-bis(hydrox ymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2R,3R,5S)-2-[(1R,3S)-8-hydroxy-5,7-dimethoxy-6-methyl-1-({[2,4,6-tridesoxy-4-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]oxy}methyl)-1,2,3,4-tetrahydro-3-isochinolinyl]-3,5-bis(hydro xymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 182.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 20.06
Polar Surface Area: 163 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 521.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement