ChemSpider 2D Image | Methyl (5S)-5-[(1R,2R)-2-chloro-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-2-O-phosphono-1-thio-beta-D-glycero-pentopyranoside | C18H34ClN2O8PS

Methyl (5S)-5-[(1R,2R)-2-chloro-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-2-O-phosphono-1-thio-β-D-glycero-pentopyranoside

  • Molecular FormulaC18H34ClN2O8PS
  • Average mass504.963 Da
  • Monoisotopic mass504.146210 Da
  • ChemSpider ID111310772

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5S)-5-[(1R,2R)-2-Chloro-1-{[(4R)-1-méthyl-4-propyl-L-prolyl]amino}propyl]-2-O-phosphono-1-thio-β-D-glycéro-pentopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5S)-5-[(1R,2R)-2-chloro-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-2-O-phosphono-1-thio-β-D-glycero-pentopyranoside [ACD/IUPAC Name]
Methyl-(5S)-5-[(1R,2R)-2-chlor-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-2-O-phosphono-1-thio-β-D-glycero-pentopyranosid [German] [ACD/IUPAC Name]
β-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate) [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 355.9±5.0 cm3

Click to predict properties on the Chemicalize site


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