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Search term: HPSWAEGGWLOOKT-VUNDNAJOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Mulberroside A | C26H32O14

Mulberroside A

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID4947470

  • 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

102841-42-9 [RN]
3-{(E)-2-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-{(E)-2-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Mulberroside A [Wiki]
β-D-Glucopyranoside de 3-{(E)-2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphényl]vinyl}-5-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-[(E)-2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(3-hydroxy-4-((E)-3-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)styryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-{3-HYDROXY-5-[(E)-2-(2-HYDROXY-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)ETHENYL]PHENOXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
[102841-42-9] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 954.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.6±3.0 kJ/mol
Flash Point: 531.2±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.51
Polar Surface Area: 239 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 343.7±3.0 cm3

Click to predict properties on the Chemicalize site


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