ChemSpider 2D Image | 4-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)phenyl (6R)-5-acetamido-3,5-dideoxy-2-thio-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid | C29H35N3O10S2

4-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)phenyl (6R)-5-acetamido-3,5-dideoxy-2-thio-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonic acid

  • Molecular FormulaC29H35N3O10S2
  • Average mass649.732 Da
  • Monoisotopic mass649.176392 Da
  • ChemSpider ID2340574

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-Naphthalenesulfonamide, N-[4-[[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl]thio]phenyl]-5-(dimethylamino)- [ACD/Index Name]
4-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)phenyl (6R)-5-acetamido-3,5-dideoxy-2-thio-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
4-({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)phenyl-(6R)-5-acetamido-3,5-didesoxy-2-thio-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-3,5-didésoxy-2-thio-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosidonique de 4-({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)phényle [French] [ACD/IUPAC Name]
(2S,4S,5R,6R)-5-acetamido-2-[4-[(5-dimethylaminonaphthalen-1-yl)sulfon ylamino]phenyl]sulfanyl-4-hyd
141303-70-0 [RN]
2-(N-Dansyl-4-aminophenylthio)-N-acetyl-9-O-acetylneuraminic acid
Dansyl-apta-ner
D-glycero-α-D-galacto-2-Nonulopyranosidonic acid, 4-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)phenyl 5-(acetylamino)-3,5-dideoxy-2-thio-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 164.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 418.3±5.0 cm3

Click to predict properties on the Chemicalize site


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