ChemSpider 2D Image | 10,11,15,16,27-Pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1~14,18~.1~24,28~.0~3,8~.0~7,12~.0~22,36~]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaene | C39H44N2O7

10,11,15,16,27-Pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaene

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID369467

More details:

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

10,11,15,16,27-Pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaen [German] [ACD/IUPAC Name]
10,11,15,16,27-Pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaene [ACD/IUPAC Name]
10,11,15,16,27-Pentaméthoxy-4,21-diméthyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodécaène [French] [ACD/IUPAC Name]
16623-56-6 [RN]
thalidasine

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

C09656 [DBID]
NSC90285 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 181.1±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 175.70
ACD/KOC (pH 7.4): 1038.84
Polar Surface Area: 71 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 555.1±3.0 cm3

Click to predict properties on the Chemicalize site


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