ChemSpider 2D Image | CSID:30844999 | C80H81Cl2N9O33

  • Molecular FormulaC80H81Cl2N9O33
  • Average mass1767.446 Da
  • Monoisotopic mass1765.431396 Da
  • ChemSpider ID30844999
  • defined stereocentres - 23 of 23 defined stereocentres


More details:






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

Acide (1S,2R,19R,22R,34S,37R,40R,52S)-2,64-bis[(2-acétamido-2-désoxy-α-L-gulopyranosyl)oxy]-47-(α-D-altropyranosyloxy)-22-amino-5,15-dichloro-26,31,44,49-tétrahydroxy-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]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32, 41(57),42,44,46,48,50,62,65-hénicosaène-52-c [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.792
Molar Refractivity: 418.3±0.4 cm3
#H bond acceptors: 42
#H bond donors: 25
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.85
ACD/LogD (pH 5.5): -7.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 662 Å2
Polarizability: 165.8±0.5 10-24cm3
Surface Tension: 126.2±5.0 dyne/cm
Molar Volume: 986.4±5.0 cm3

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