ChemSpider 2D Image | Isoacteoside | C29H36O15

Isoacteoside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID4977818
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
2-(3,4-Dihydroxyphenyl)ethyl-3-O-(6-desoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
61303-13-7 [RN]
iso-Acteoside
Isoacteoside
Isoverbascoside
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

588LJK42AP [DBID]
AIDS112620 [DBID]
AIDS-112620 [DBID]
UNII:588LJK42AP [DBID]
UNII-588LJK42AP [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 942.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 306.1±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 61.22
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.49
Polar Surface Area: 245 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

Click to predict properties on the Chemicalize site






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