ChemSpider 2D Image | (22R,51R)-22,51-Diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1
~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone | C52H60N24O10

(22R,51R)-22,51-Diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.14,7.110,13.116,19.127,30.133,36.139,42.1 45,48]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone

  • Molecular FormulaC52H60N24O10
  • Average mass1181.188 Da
  • Monoisotopic mass1180.492432 Da
  • ChemSpider ID25056953
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(22R,51R)-22,51-Diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.14,7.110,13.116,19.127,30.133,36.139,42.1 45,48]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaen-3,9,15,21,26,32,38,44,50,55-decon [German] [ACD/IUPAC Name]
(22R,51R)-22,51-Diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.14,7.110,13.116,19.127,30.133,36.139,42.1 45,48]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone [ACD/IUPAC Name]
(22R,51R)-22,51-Diamino-5,11,17,28,34,40,46,57-octaméthyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-docosaazanonacyclo[54.2.1.14,7.110,13.116,19.127,30.133,36.139,42.1 45,48]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadécaène-3,9,15,21,26,32,38,44,50,55-décone [French] [ACD/IUPAC Name]
2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-Docosaazanonacyclo[54.2.1.14,7.110,13.116,19.127,30.133,36.139,42.145,48]hexahexaconta-4(66),6,10(65),12,16(64),18,27(63),2 
9,33(62),35,39(61),41,45(60),47,56(59),58-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-, (22R,51R)- [ACD/Index Name]

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: 1.789
Molar Refractivity: 304.5±0.5 cm3
#H bond acceptors: 34
#H bond donors: 14
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: -7.24
ACD/LogD (pH 5.5): -8.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 434 Å2
Polarizability: 120.7±0.5 10-24cm3
Surface Tension: 76.7±7.0 dyne/cm
Molar Volume: 719.6±7.0 cm3

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