ChemSpider 2D Image | Leiocarposide | C27H34O16

Leiocarposide

  • Molecular FormulaC27H34O16
  • Average mass614.549 Da
  • Monoisotopic mass614.184692 Da
  • ChemSpider ID137456

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(β-D-Glucopyranosyloxy)benzyl 3-(β-D-glucopyranosyloxy)-6-hydroxy-2-methoxybenzoate [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)benzyl-3-(β-D-glucopyranosyloxy)-6-hydroxy-2-methoxybenzoat [German] [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-6-hydroxy-2-méthoxybenzoate de 2-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
71953-77-0 [RN]
Benzoic acid, 3-(β-D-glucopyranosyloxy)-6-hydroxy-2-methoxy-, [2-(β-D-glucopyranosyloxy)phenyl]methyl ester [ACD/Index Name]
Leiocarposide
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 6-hydroxy-2-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
2'-Hydroxybenzyl-3-methoxybenzoate 2',4-diglucoside
B-D-GLUCOPYRANOSIDE, 2-[[[3-(B-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-2-METHOXYBENZOYL]OXY]METHYL]PHENYL
Lejokarpozyd [Polish]
More...

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

BRN 5696939 [DBID]
C10805 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.663
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.86
Polar Surface Area: 255 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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