ChemSpider 2D Image | N-[(10S,13S,20R)-3,35-Dichloro-18,21-dihydroxy-10-isopropyl-12-oxo-8,22,39-trioxa-4,11,34,38-tetraazanonacyclo[27.6.1.1~2,5~.1~6,9~.1~15,19~.0~7,20~.0~20,24~.0~23,28~.0~33,36~]nonatriaconta-1(35),2,4,
6,9(38),15(37),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]valinamide | C40H36Cl2N6O7

N-[(10S,13S,20R)-3,35-Dichloro-18,21-dihydroxy-10-isopropyl-12-oxo-8,22,39-trioxa-4,11,34,38-tetraazanonacyclo[27.6.1.12,5.16,9.115,19.07,20.020,24.023,28.033,36]nonatriaconta-1(35),2,4, 6,9(38),15(37),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]valinamide

  • Molecular FormulaC40H36Cl2N6O7
  • Average mass783.656 Da
  • Monoisotopic mass782.202271 Da
  • ChemSpider ID10472888
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

N-[(10S,13S,20R)-3,35-Dichlor-18,21-dihydroxy-10-isopropyl-12-oxo-8,22,39-trioxa-4,11,34,38-tetraazanonacyclo[27.6.1.12,5.16,9.115,19.07,20.020,24.023,28.033,36]nonatriaconta-1(35),2,4,6 ,9(38),15(37),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]valinamid [German] [ACD/IUPAC Name]
N-[(10S,13S,20R)-3,35-Dichloro-18,21-dihydroxy-10-isopropyl-12-oxo-8,22,39-trioxa-4,11,34,38-tetraazanonacyclo[27.6.1.12,5.16,9.115,19.07,20.020,24.023,28.033,36]nonatriaconta-1(35),2,4, 6,9(38),15(37),16,18,23,25,27,29(36),30,32-tetradecaen-13-yl]valinamide [ACD/IUPAC Name]
N-[(10S,13S,20R)-3,35-Dichloro-18,21-dihydroxy-10-isopropyl-12-oxo-8,22,39-trioxa-4,11,34,38-tétraazanonacyclo[27.6.1.12,5.16,9.115,19.07,20.020,24.023,28.033,36]nonatriaconta-1(35),2,4, 6,9(38),15(37),16,18,23,25,27,29(36),30,32-tétradécaén-13-yl]valinamide [French] [ACD/IUPAC 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: 1.753
Molar Refractivity: 201.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.61
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 38.86
ACD/KOC (pH 7.4): 275.66
Polar Surface Area: 202 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

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