ChemSpider 2D Image | HAMAMELITANNIN HEXAMETHYL ETHER | C26H32O14

HAMAMELITANNIN HEXAMETHYL ETHER

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID34987217

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-O-(3,4,5-Trimethoxybenzoyl)-2-C-{[(3,4,5-trimethoxybenzoyl)oxy]methyl}-D-ribose [German] [ACD/IUPAC Name]
5-O-(3,4,5-Trimethoxybenzoyl)-2-C-{[(3,4,5-trimethoxybenzoyl)oxy]methyl}-D-ribose [ACD/IUPAC Name]
5-O-(3,4,5-Triméthoxybenzoyl)-2-C-{[(3,4,5-triméthoxybenzoyl)oxy]méthyl}-D-ribose [French] [ACD/IUPAC Name]
7533-14-4 [RN]
D-Ribose, 2-C-[[(3,4,5-trimethoxybenzoyl)oxy]methyl]-, 5-(3,4,5-trimethoxybenzoate) [ACD/Index Name]
HAMAMELITANNIN HEXAMETHYL ETHER

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

7IN2P242DO [DBID]
UNII:7IN2P242DO [DBID]
UNII-7IN2P242DO [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 214.0±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.38
ACD/KOC (pH 5.5): 332.20
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.37
ACD/KOC (pH 7.4): 332.12
Polar Surface Area: 186 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 426.8±3.0 cm3

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