ChemSpider 2D Image | N-[3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[27.6.1.1~2,5~.1~6,9~.1~15,19~.1~18,21~.0~7,20~.0~20,24~.0~23,28~.0~33,36~]tetraconta-1(35),2,4,6,9(39),15(38),16,18,
23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide | C40H34Cl2N6O6

N-[3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18, 23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide

  • Molecular FormulaC40H34Cl2N6O6
  • Average mass765.641 Da
  • Monoisotopic mass764.191711 Da
  • ChemSpider ID350562

More details:






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

N-[3,35-Dichlor-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,2 3,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamid [German] [ACD/IUPAC Name]
N-[3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18, 23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide [ACD/IUPAC Name]
N-[3,35-Dichloro-10-isopropyl-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadécacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tétraconta-1(35),2,4,6,9(39),15(38),16,18, 23,25,27,29(36),30,32-tétradécaén-13-yl]-2-hydroxy-3-méthylbutanamide [French] [ACD/IUPAC Name]
n-[3,35-dichloro-10-(1-methylethyl)-12-oxo-8,37,40-trioxa-4,11,22,34,39-pentaazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]-2-hydroxy-3-methylbutanamide(non-preferred name)

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

NSC700089 [DBID]

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: 1.759
Molar Refractivity: 198.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1300.53
ACD/KOC (pH 5.5): 5893.96
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1300.53
ACD/KOC (pH 7.4): 5893.98
Polar Surface Area: 168 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 90.3±5.0 dyne/cm
Molar Volume: 482.1±5.0 cm3

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