ChemSpider 2D Image | Methyl (5R)-5-[(1S,2S)-2-chloro-1-{[(4R)-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | C17H31ClN2O5S

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

  • Molecular FormulaC17H31ClN2O5S
  • Average mass410.956 Da
  • Monoisotopic mass410.164215 Da
  • ChemSpider ID62969985

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5R)-5-[(1S,2S)-2-Chloro-1-{[(4R)-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- [ACD/Index Name]
Methyl (5R)-5-[(1S,2S)-2-chloro-1-{[(4R)-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1S,2S)-2-chlor-1-{[(4R)-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
22431-45-4 [RN]
N-Demethylclindamycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 29.11
Polar Surface Area: 136 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 312.3±5.0 cm3

Click to predict properties on the Chemicalize site


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