ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-6-[(1R,2S)-3-{[4-azido-2-nitro(3,5-~3~H_2_)phenyl]sulfanyl}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-enonic acid | C17H18T2N5O9S

(6R)-5-Acetamido-2,6-anhydro-6-[(1R,2S)-3-{[4-azido-2-nitro(3,5-3H2)phenyl]sulfanyl}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-enonic acid

  • Molecular FormulaC17H18T2N5O9S
  • Average mass473.442 Da
  • Monoisotopic mass473.106781 Da
  • ChemSpider ID2340462

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6R)-5-Acetamido-2,6-anhydro-6-[(1R,2S)-3-{[4-azido-2-nitro(3,5-3H2)phenyl]sulfanyl}-1,2-dihydroxypropyl]-3,5-dideoxy-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-6-[(1R,2S)-3-{[4-azido-2-nitro(3,5-3H2)phenyl]sulfanyl}-1,2-dihydroxypropyl]-3,5-didesoxy-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-6-[(1R,2S)-3-{[4-azido-2-nitro(3,5-3H2)phényl]sulfanyl}-1,2-dihydroxypropyl]-3,5-didésoxy-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-9-S-(4-azido-2-nitrophenyl-3,5-t2)-3,5-dideoxy-9-thio- [ACD/Index Name]
132406-95-2 [RN]
5-(Acetylamino)-2,6-anhydro-9-S-(4-azido-2-nitrophenyl-3,5-t2)-3,5-dideoxy-9-thio-D-gylcero-D-galacto-Non-2-enoic acid
9-(4-Azido-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thioglycerogalactonon-2-enoic acid
9-Panp-neu5Ac2en
9-S-(4-Azido-3,5-3H-2-nitrophenyl)-5-acetamido-2,6-anhydro-2,3,5,9-tetradeoxy-9-thio-D-glycero-D-galacto-non-2-enoic acid
D-gylcero-D-galacto-Non-2-enoic acid, 5-(acetylamino)-2,6-anhydro-9-S-(4-azido-2-nitrophenyl-3,5-t2)-3,5-dideoxy-9-thio-

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:

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