Deprecated ChemSpider Record

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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:





Date of deprecation: 10:09, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Click to predict properties on the Chemicalize site





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