ChemSpider 2D Image | Thalidasan-7-ol, 6,6',7',12-tetramethoxy-2'-methyl- | C37H40N2O7

Thalidasan-7-ol, 6,6',7',12-tetramethoxy-2'-methyl-

  • Molecular FormulaC37H40N2O7
  • Average mass624.723 Da
  • Monoisotopic mass624.283569 Da
  • ChemSpider ID138004

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,22S)-10,11,16,27-Tetramethoxy-4-methyl-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-15-ol [ACD/IUPAC Name]
(3S,22S)-10,11,16,27-Tetramethoxy-4-methyl-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-15-ol [German] [ACD/IUPAC Name]
(3S,22S)-10,11,16,27-Tétraméthoxy-4-méthyl-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-dodécaén-15-ol [French] [ACD/IUPAC Name]
Thalidasan-7-ol, 6,6',7',12-tetramethoxy-2'-methyl-
74683-04-8 [RN]
N-Desmethylthalrugosidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 175.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.00
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 27.47
ACD/KOC (pH 7.4): 185.21
Polar Surface Area: 91 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 514.5±3.0 cm3

Click to predict properties on the Chemicalize site


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