ChemSpider 2D Image | Methyl (5R)-5-[(1S)-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-2-oxopropyl]-1-thio-beta-L-arabinopyranoside | C18H32N2O6S

Methyl (5R)-5-[(1S)-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-2-oxopropyl]-1-thio-β-L-arabinopyranoside

  • Molecular FormulaC18H32N2O6S
  • Average mass404.522 Da
  • Monoisotopic mass404.198120 Da
  • ChemSpider ID35034026

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5R)-5-[(1S)-1-{[(4R)-1-Méthyl-4-propyl-L-prolyl]amino}-2-oxopropyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-Octopyranosid-7-ulose, methyl 6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- [ACD/Index Name]
Methyl (5R)-5-[(1S)-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-2-oxopropyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-α-D-galacto-octopyranosid-7-ulose
Methyl-(5R)-5-[(1S)-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-2-oxopropyl]-1-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
17057-59-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 338.0±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.03
Polar Surface Area: 145 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 312.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement