ChemSpider 2D Image | 1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxy-4-pentyn-2-yl hexopyranoside | C27H34O11

1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxy-4-pentyn-2-yl hexopyranoside

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID326585

More details:

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

1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxy-4-pentin-2-ylhexopyranosid [German] [ACD/IUPAC Name]
1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxy-4-pentyn-2-yl hexopyranoside [ACD/IUPAC Name]
4-(3,4-Dimethoxyphenyl)-1-((3,4-dimethoxyphenyl)(hydroxy)methyl)-3-butynyl hexopyranoside
Hexopyranoside de 1,5-bis(3,4-diméthoxyphényl)-1-hydroxy-4-pentyn-2-yle [French] [ACD/IUPAC Name]
Hexopyranoside, 4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)hydroxymethyl]-3-butyn-1-yl [ACD/Index Name]

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

AIDS136463 [DBID]
AIDS-136463 [DBID]
NCI60_012652 [DBID]
NSC638030 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.6±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 69.91
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 69.91
Polar Surface Area: 157 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

Click to predict properties on the Chemicalize site


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