ChemSpider 2D Image | (1R,14S)-9,20,25-Trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1~3,7~.1~8,12~.1~14,18~.0~22,33~.0~27,31~]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodecaene-6,21-diol | C36H38N2O6

(1R,14S)-9,20,25-Trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.022,33.027,31]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodecaene-6,21-diol

  • Molecular FormulaC36H38N2O6
  • Average mass594.697 Da
  • Monoisotopic mass594.273010 Da
  • ChemSpider ID10198026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,14S)-9,20,25-Trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.022,33.027,31]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodecaen-6,21-diol [German] [ACD/IUPAC Name]
(1R,14S)-9,20,25-Trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.022,33.027,31]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodecaene-6,21-diol [ACD/IUPAC Name]
(1R,14S)-9,20,25-Triméthoxy-15-méthyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.022,33.027,31]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24,26,31-dodécaène-6,21-diol [French] [ACD/IUPAC Name]
120139-68-6 [RN]
tilitriandrine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 412.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 216.61
ACD/KOC (pH 7.4): 1109.03
Polar Surface Area: 93 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 480.2±3.0 cm3

Click to predict properties on the Chemicalize site


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