ChemSpider 2D Image | (25S)-4,5,20,31-Tetramethoxy-26-methyl-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),3,5,7,11,14,16,19(34),20,22,29,32,35-tridecaen-30-ol | C37H38N2O7

(25S)-4,5,20,31-Tetramethoxy-26-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,11,14,16,19(34),20,22,29,32,35-tridecaen-30-ol

  • Molecular FormulaC37H38N2O7
  • Average mass622.707 Da
  • Monoisotopic mass622.267883 Da
  • ChemSpider ID160409

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(25S)-4,5,20,31-Tetramethoxy-26-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,11,14,16,19(34),20,22,29,32,35-tridecaen-30-ol [ACD/IUPAC Name]
(25S)-4,5,20,31-Tetramethoxy-26-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,11,14,16,19(34),20,22,29,32,35-tridecaen-30-ol [German] [ACD/IUPAC Name]
(25S)-4,5,20,31-Tétraméthoxy-26-méthyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,11,14,16,19(34),20,22,29,32,35-tridécaén-30-ol [French] [ACD/IUPAC Name]
(25s)-4,5,20,31-tetramethoxy-26-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3,5,7,11,14,16,19(34),20,22,29,32,35-tridecaen-30-ol(non-preferred name)
105437-18-1 [RN]
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-34-OL,2,3,11,14,25,25A-HEXAHYDRO-21,31,32,33-TETRAMETHOXY-1-METHYL-, (25AS)- (9CI)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 421.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 12.14
ACD/KOC (pH 5.5): 67.00
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 420.99
ACD/KOC (pH 7.4): 2324.08
Polar Surface Area: 91 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 474.7±7.0 cm3

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