ChemSpider 2D Image | Thalmine | C37H40N2O6

Thalmine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID390818

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(12S,25S)-5,20,31-Trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol [German] [ACD/IUPAC Name]
(12S,25S)-5,20,31-Trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol [ACD/IUPAC Name]
(12S,25S)-5,20,31-Triméthoxy-11,26-diméthyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodécaén-4-ol [French] [ACD/IUPAC Name]
1H-8,9,13-[1,3]Butadien[1]yl[4]ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido[2,3-t][1,13,6]dioxaazacyclotricosin-32-ol, 2,3,11,12,13,14,25,25a-octahydro-21,31,33-trimethoxy-1,12-dimethyl-, (13S,25aS)-
7682-65-7 [RN]
Thalmine

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

C09659 [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: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 393.5±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 225.81
ACD/KOC (pH 7.4): 1105.06
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

Click to predict properties on the Chemicalize site


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