ChemSpider 2D Image | 7-O-Ethylmorroniside | C19H30O11

7-O-Ethylmorroniside

  • Molecular FormulaC19H30O11
  • Average mass434.435 Da
  • Monoisotopic mass434.178802 Da
  • ChemSpider ID30773372

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3R,4aS,8S,8aS)-3-Éthoxy-8-(β-D-glucopyranosyloxy)-1-méthyl-4,4a,8,8a-tétrahydro-1H,3H-pyrano[3,4-c]pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 3-ethoxy-8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-1-methyl-, methyl ester, (1S,3R,4aS,8S,8aS)- [ACD/Index Name]
7-O-Ethylmorroniside
945721-10-8 [RN]
Methyl (1S,3R,4aS,8S,8aS)-3-ethoxy-8-(β-D-glucopyranosyloxy)-1-methyl-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(1S,3R,4aS,8S,8aS)-3-ethoxy-8-(β-D-glucopyranosyloxy)-1-methyl-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylat [German] [ACD/IUPAC Name]
(1S,?3R,?4aS,?8S,?8aS)?-3-?ethoxy-?8-?(?-?D-?glucopyranosyloxy)?-?4,?4a,?8,?8a-?tetrahydro-?1-?methyl-?1H,?3H-?Pyrano[3,?4-?c]?pyran-?5-?carboxylic acid, methyl ester
7-o-ethyl-morroniside
methyl (1S,3R,4aS,8S,8aS)-3-ethoxy-1-methyl-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate
MFCD28124354

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.21
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
Polar Surface Area: 153 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 306.9±5.0 cm3

Click to predict properties on the Chemicalize site


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