ChemSpider 2D Image | (1S)-1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]glucitol | C29H30O11

(1S)-1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]glucitol

  • Molecular FormulaC29H30O11
  • Average mass554.542 Da
  • Monoisotopic mass554.178833 Da
  • ChemSpider ID552762
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-1-[7-méthoxy-5-méthyl-4-oxo-2-(2-oxopropyl)-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol
(1S)-1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]glucitol
D-Glucitol, 1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-1-C-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
D-glucitol, 1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-1-C-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S)-
329361-25-3 [RN]
7-O-Methylaloeresin A
8-?[2-?O-?[(2E)?-?3-?(4-?hydroxyphenyl)?-?1-?oxo-?2-?propen-?1-?yl]?-??-?D-?glucopyranosyl]?-?7-?methoxy-?5-?methyl-?2-?(2-?oxopropyl)?-4H-?1-?Benzopyran-?4-?one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 789.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 260.0±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.16
ACD/KOC (pH 5.5): 298.83
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.06
ACD/KOC (pH 7.4): 297.25
Polar Surface Area: 169 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 379.9±5.0 cm3

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