ChemSpider 2D Image | (1E)-2-Amino-N-[(10S,11E,13S)-3,35-dichloro-12,18,21-trihydroxy-10-isopropyl-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),11,15(37),16,18,23,25,27,29(36),30,32-pentadecaen-13-yl]-3-methylbutanimidic acid | C40H36Cl2N6O7

(1E)-2-Amino-N-[(10S,11E,13S)-3,35-dichloro-12,18,21-trihydroxy-10-isopropyl-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),11,15(37),16,18,23,25,27,29(36),30,32-pentadecaen-13-yl]-3-methylbutanimidic acid

  • Molecular FormulaC40H36Cl2N6O7
  • Average mass783.656 Da
  • Monoisotopic mass782.202271 Da
  • ChemSpider ID34981657

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1E)-2-Amino-N-[(10S,11E,13S)-3,35-dichlor-12,18,21-trihydroxy-10-isopropyl-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),11,15(37),16,18,23,25,27,29(36),30,32-pentadecaen-13-yl]-3-methylbutanimidsäure [German] [ACD/IUPAC Name]
(1E)-2-Amino-N-[(10S,11E,13S)-3,35-dichloro-12,18,21-trihydroxy-10-isopropyl-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),11,15(37),16,18,23,25,27,29(36),30,32-pentadecaen-13-yl]-3-methylbutanimidic acid [ACD/IUPAC Name]
Acide (1E)-2-amino-N-[(10S,11E,13S)-3,35-dichloro-12,18,21-trihydroxy-10-isopropyl-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]nonatria conta-1(35),2,4,6,9(38),11,15(37),16,18,23,25,27,29(36),30,32-pentadécaén-13-yl]-3-méthylbutanimidique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.789
Molar Refractivity: 197.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 209 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 467.3±7.0 cm3

Click to predict properties on the Chemicalize site


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