ChemSpider 2D Image | (5xi,6R)-5-Acetamido-2,6-anhydro-6-{(1R,2S)-3-[(4-azido-2-nitrophenyl)sulfanyl]-1,2-dihydroxypropyl}-3,5-dideoxy-D-glycero-hex-2-enonic acid | C17H19N5O9S

(5ξ,6R)-5-Acetamido-2,6-anhydro-6-{(1R,2S)-3-[(4-azido-2-nitrophenyl)sulfanyl]-1,2-dihydroxypropyl}-3,5-dideoxy-D-glycero-hex-2-enonic acid

  • Molecular FormulaC17H19N5O9S
  • Average mass469.426 Da
  • Monoisotopic mass469.090332 Da
  • ChemSpider ID68024840

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5ξ,6R)-5-Acetamido-2,6-anhydro-6-{(1R,2S)-3-[(4-azido-2-nitrophenyl)sulfanyl]-1,2-dihydroxypropyl}-3,5-dideoxy-D-glycero-hex-2-enonic acid [ACD/IUPAC Name]
(5ξ,6R)-5-Acetamido-2,6-anhydro-6-{(1R,2S)-3-[(4-azido-2-nitrophenyl)sulfanyl]-1,2-dihydroxypropyl}-3,5-didesoxy-D-glycero-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6R)-5-acétamido-2,6-anhydro-6-{(1R,2S)-3-[(4-azido-2-nitrophényl)sulfanyl]-1,2-dihydroxypropyl}-3,5-didésoxy-D-glycéro-hex-2-énonique [French] [ACD/IUPAC Name]
D-gluco-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-9-S-(4-azido-2-nitrophenyl)-3,5-dideoxy-9-thio-, (5ξ)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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