ChemSpider 2D Image | oxy-6-methyl-, (7S,19aS)- | C38H40N2O8

oxy-6-methyl-, (7S,19aS)-

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID138005

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,22S)-15-Hydroxy-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-dodec aen-21-carbaldehyd [German] [ACD/IUPAC Name]
(3S,22S)-15-Hydroxy-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-dodec aene-21-carbaldehyde [ACD/IUPAC Name]
(3S,22S)-15-Hydroxy-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-dodéc aène-21-carbaldéhyde [French] [ACD/IUPAC Name]
19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-25-hydroxy-15,24,31,32-tetrameth
oxy-6-methyl-, (7S,19aS)-
19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-25-hydroxy-15,24,31,32-tetramethoxy-6-methyl-, (7S,19aS)-
74690-97-4 [RN]
Thalpindione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 435.8±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 181.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 26.02
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 112.80
ACD/KOC (pH 7.4): 860.84
Polar Surface Area: 99 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 516.1±3.0 cm3

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