ChemSpider 2D Image | Dalmaisiose M | C62H70O31

Dalmaisiose M

  • Molecular FormulaC62H70O31
  • Average mass1311.201 Da
  • Monoisotopic mass1310.390137 Da
  • ChemSpider ID9073808

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

3-O-Benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-fructofuranosyl β-D-glucopyranosyl-(1->2)-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl-(1->3)]-6-O-acety l-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-glucopyranoside [ACD/IUPAC Name]
3-O-Benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-fructofuranosyl-β-D-glucopyranosyl-(1->2)-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl-(1->3)]-6-O-acety l-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-Benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-fructofuranosyl β-D-glucopyranosyl-(1->2)-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl-(1->3)]-6-O-acetyl-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-α-D-glucopyranoside
Dalmaisiose M
α-D-Glucopyranoside, 3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl O-β-D-glucopyranosyl-(1->2)-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen- 1-yl]-β-D-glucopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-, 6-acetate [ACD/Index Name]
α-D-glucopyranoside, 3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl O-β-D-glucopyranosyl-(1->2)-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1->3)]-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-, 6-acetate
β-D-Glucopyranosyl-(1->2)-[6-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranosyl-(1->3)]-6-O-acétyl-4-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-α-D-glucopyranoside de 3-O-benzoyl-1-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-fructofuranosyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1350.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 213.6±3.0 kJ/mol
Flash Point: 365.0±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 311.4±0.4 cm3
#H bond acceptors: 31
#H bond donors: 12
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 4
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.20
ACD/KOC (pH 5.5): 706.88
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.85
ACD/KOC (pH 7.4): 703.21
Polar Surface Area: 457 Å2
Polarizability: 123.4±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 822.6±5.0 cm3

Click to predict properties on the Chemicalize site


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