ChemSpider 2D Image | 3558 | C19H35ClN2O5S

3558

  • Molecular FormulaC19H35ClN2O5S
  • Average mass439.010 Da
  • Monoisotopic mass438.195526 Da
  • ChemSpider ID32699554
  • 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-pentyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
3558
L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-pentyl-2-pyrrolidinyl]carbonyl]amino]-1-thio- [ACD/Index Name]
Methyl (5R)-5-[(1S,2S)-2-chloro-1-{[(4R)-4-pentyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[(1S,2S)-2-chlor-1-{[(4R)-4-pentyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
mirincamycin

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

F6T0FI8XCS [DBID]
UNII:F6T0FI8XCS [DBID]
UNII-F6T0FI8XCS [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 61.22
Polar Surface Area: 136 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

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