ChemSpider 2D Image | [(2R,3S,4R,5S)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-aminopropanoyl]sulfamate (non-preferred name) | C13H18ClN7O7S

[(2R,3S,4R,5S)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-aminopropanoyl]sulfamate (non-preferred name)

  • Molecular FormulaC13H18ClN7O7S
  • Average mass451.843 Da
  • Monoisotopic mass451.067688 Da
  • ChemSpider ID78443279

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,3S,4R,5S)-5-(6-Amino-2-chlor-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2S)-2-aminopropanoyl]sulfamat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5S)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-aminopropanoyl]sulfamate (non-preferred name) [ACD/IUPAC Name]
[(2S)-2-Aminopropanoyl]sulfamate de [(2R,3S,4R,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[(2S)-2-amino-1-oxopropyl]amino]sulfonyl]-α-D-ribofuranosyl]-2-chloro- [ACD/Index Name]
Ascamycin

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.840
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 102.2±7.0 dyne/cm
Molar Volume: 213.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement