ChemSpider 2D Image | (7S)-6'-Methoxy-2'-methyl-8-oxo-3',4',6,8-tetrahydro-2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-7'-yl beta-D-glucopyranoside | C26H29NO10

(7S)-6'-Methoxy-2'-methyl-8-oxo-3',4',6,8-tetrahydro-2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-7'-yl β-D-glucopyranoside

  • Molecular FormulaC26H29NO10
  • Average mass515.509 Da
  • Monoisotopic mass515.179138 Da
  • ChemSpider ID138038

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7S)-6'-Methoxy-2'-methyl-8-oxo-3',4',6,8-tetrahydro-2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-7'-yl β-D-glucopyranoside [ACD/IUPAC Name]
Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8(6H)-one, 7'-(β-D-glucopyranosyloxy)-3',4'-dihydro-6'-methoxy-2'-methyl-, (7S)- [ACD/Index Name]
75969-88-9 [RN]
Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8(6H)-one,7'-(β-D-glucopyranosyloxy)-3',4'-dihydro-6'-methoxy-2'-methyl-, (2'S)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 753.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.3±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 32.71
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 47.72
Polar Surface Area: 147 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

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