ChemSpider 2D Image | CSID:17290932 | C89H99Cl2N9O33

  • Molecular FormulaC89H99Cl2N9O33
  • Average mass1893.685 Da
  • Monoisotopic mass1891.572266 Da
  • ChemSpider ID17290932

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(1S,2R,19R,22S,34S,37R,40R,52S)-2-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]-22-ammonio-5,15-dichlor-64-({2-desoxy-2-[(9-methyldecanoyl)amino]-β-D-glucopyranosyl}oxy)-26,31,44,49-tetrahydrox y-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hex ahexaconta-3,5,8(64),9,11,14,16,23(61),24,26 [German] [ACD/IUPAC Name]
(1S,2R,19R,22S,34S,37R,40R,52S)-2-[(2-Acétamido-2-désoxy-β-D-glucopyranosyl)oxy]-22-ammonio-5,15-dichloro-64-({2-désoxy-2-[(9-méthyldecanoyl)amino]-β-D-glucopyranosyl}oxy)-26,31,44,49-tétrahydro xy-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundécacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]he xahexaconta-3,5,8(64),9,11,14,16,23(61),24,2 [French] [ACD/IUPAC 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: 42
#H bond donors: 25
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 667 Å2
Polarizability:
Surface Tension:
Molar Volume:

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