ChemSpider 2D Image | Clindamycin | C18H33ClN2O5S

Clindamycin

  • Molecular FormulaC18H33ClN2O5S
  • Average mass424.983 Da
  • Monoisotopic mass424.179871 Da
  • ChemSpider ID21112019

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5S)-5-[(1R)-2-Chloro-1-{[(4R)-1-méthyl-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside de méthyle [French] [ACD/IUPAC Name]
Clindamycin [INN] [USAN] [Wiki]
L-glycero-β-L-altro-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, (7ξ)- [ACD/Index Name]
Methyl (5S)-5-[(1R)-2-chloro-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranoside [ACD/IUPAC Name]
Methyl (7ξ)-7-chloro-6,7,8-trideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-L-glycero-β-L-altro-octopyranoside
Methyl-(5S)-5-[(1R)-2-chlor-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-β-L-arabinopyranosid [German] [ACD/IUPAC Name]
18323-44-9 [RN]
MFCD00072005 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.6±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 30.62
Polar Surface Area: 128 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 327.2±5.0 cm3

Click to predict properties on the Chemicalize site


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