ChemSpider 2D Image | (12S,25S)-5,20,31-Trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaene-4,30-diol | C37H40N2O7

(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-dodecaene-4,30-diol

  • Molecular FormulaC37H40N2O7
  • Average mass624.723 Da
  • Monoisotopic mass624.283569 Da
  • ChemSpider ID160406

  • 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-4,30-diol [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-dodecaene-4,30-diol [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-dodécaène-4,30-diol [French] [ACD/IUPAC Name]
105418-73-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 101.11
ACD/KOC (pH 7.4): 705.14
Polar Surface Area: 93 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 504.0±3.0 cm3

Click to predict properties on the Chemicalize site


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