Found 13 results

Search term: MF = 'C_{21}H_{32}O_{14}'
ChemSpider 2D Image | (2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy]-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2 H-pyran-2,3,4,5-tetrol | C21H32O14

(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy]-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2 H-pyran-2,3,4,5-tetrol

  • Molecular FormulaC21H32O14
  • Average mass508.470 Da
  • Monoisotopic mass508.179199 Da
  • ChemSpider ID138408

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy]-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2 H-pyran-2,3,4,5-tetrol [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yloxy]-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2 H-pyran-2,3,4,5-tetrol [German] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-2-(Hydroxyméthyl)-6-[(4aS,7aS)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yloxy]-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2 H-pyrane-2,3,4,5-tétrol [French] [ACD/IUPAC Name]
78808-77-2 [RN]
β-D-Glucopyranoside, 4-((β-D-glucopyranosyloxy)methyl)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta(c)pyran-1-yl, (1S-(1α,4aα,5α,7aα))-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 795.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.1±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 228 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 103.8±5.0 dyne/cm
Molar Volume: 298.7±5.0 cm3

Click to predict properties on the Chemicalize site


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