Found 1 result

Search term: C48H82O18 (Found by synonym)

ChemSpider 2D Image | (3beta,6alpha,9xi,12beta,13alpha,17xi)-20-(beta-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C48H82O18

(3β,6α,9ξ,12β,13α,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC48H82O18
  • Average mass947.154 Da
  • Monoisotopic mass946.550110 Da
  • ChemSpider ID24601983
  • defined stereocentres - 24 of 26 defined stereocentres


More details:






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

(3β,6α,9ξ,12β,13α,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,6α,9ξ,12β,13α,17ξ)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,6α,9ξ,12β,13α,17ξ)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,6α,9ξ,12β,13α,17ξ)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13S,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
c48h82o18

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1011.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.3±6.0 kJ/mol
Flash Point: 565.7±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 238.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.45
ACD/KOC (pH 5.5): 663.08
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.45
ACD/KOC (pH 7.4): 663.08
Polar Surface Area: 298 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 686.3±5.0 cm3

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