ChemSpider 2D Image | Sugammadex | C72H112O48S8

Sugammadex

  • Molecular FormulaC72H112O48S8
  • Average mass2002.151 Da
  • Monoisotopic mass2000.408813 Da
  • ChemSpider ID32689915
  • defined stereocentres - 40 of 40 defined stereocentres


More details:



Featured data source



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

3,3',3'',3''',3'''',3''''',3'''''',3'''''''-{[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56 ;R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-Hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]h exapentacontan-5,10,15,20,25,30,35,40-octayl [German] [ACD/IUPAC Name]
3,3',3'',3''',3'''',3''''',3'''''',3'''''''-{[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56 ;R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-Hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]h exapentacontane-5,10,15,20,25,30,35,40-octay [ACD/IUPAC Name]
343306-71-8 [RN]
Acide 3,3',3'',3''',3'''',3''''',3'''''',3'''''''-{[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R, ;55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadécahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadécaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233 ,36]hexapentacontane-5,10,15,20,25,30,35,40 [French] [ACD/IUPAC Name]
cyclooctakis-(1&;rarr;4)-[6-S-(2-carboxyethyl)-6-thio-α-D-glucopyranosyl]
Sugammadex [Wiki]
UNII361LPM2T56
UNII-361LPM2T56

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

361LPM2T56 [DBID]
  • Miscellaneous
    • Chemical Class:

      An octasaccharide derivative that is <greek>gamma</greek>-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reve rsal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. ChEBI CHEBI:90953

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 445.3±0.3 cm3
#H bond acceptors: 48
#H bond donors: 24
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -12.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 972 Å2
Polarizability: 176.5±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 1283.4±3.0 cm3

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