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Search term: 35308424 (Found by CSID)
ChemSpider 2D Image | Rehmannioside D | C27H42O20

Rehmannioside D

  • Molecular FormulaC27H42O20
  • Average mass686.610 Da
  • Monoisotopic mass686.226929 Da
  • ChemSpider ID35308424

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1S,4aS,5R,7aR)-4a-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4aS,5R,7aR)-4a-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
81720-08-3 [RN]
Rehmannioside D
β-D-Glucopyranoside de (1S,4aS,5R,7aR)-4a-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-7-(hydroxyméthyl)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1S,4aS,5R,7aR)-4a-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
[(1S,7aα)-1α-(β-D-Glucopyranosyloxy)-5,7a-dihydro-5α-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4aα(1H)-yl]2-O-β-D-glucopyranosyl-β-D-glucopyranoside
MFCD13195578
MFCD30478904
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 1052.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.4±6.0 kJ/mol
Flash Point: 590.3±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.78
ACD/LogD (pH 5.5): -5.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 119.7±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


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