ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C29H36O16

2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC29H36O16
  • Average mass640.586 Da
  • Monoisotopic mass640.200317 Da
  • ChemSpider ID4445110

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl-6-O-(6-desoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-2-hydroxyéthyle [French] [ACD/IUPAC Name]
84213-44-5 [RN]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-2-hydroxyethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
3,4-Trihydroxyphenethyl-O-rhamnopyranosyl-(1-6)-4-O-caffeoyl-glucopyranoside
6,7-Dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione [ACD/IUPAC Name]
Suspensaside
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-2-hydroxyethyl 6-O-(6-deoxy-α-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate)-, (E)-

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

C10499 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 962.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 311.5±27.8 °C
Index of Refraction: 1.704
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.72
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.42
Polar Surface Area: 266 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 104.3±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


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