ChemSpider 2D Image | 2-(1-(Acetyloxy)-4-methyl-3-pentenyl)-1,4,5,8-naphthalenetetrol tetraacetate | C26H28O10

2-(1-(Acetyloxy)-4-methyl-3-pentenyl)-1,4,5,8-naphthalenetetrol tetraacetate

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID113857

More details:

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

1,4,5,8-Naphthalenetetrol, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-, tetraacetate
1,4,5,8-Naphthalenetetrol, 2-[1-(acetyloxy)-4-methyl-3-penten-1-yl]-, tetraacetate [ACD/Index Name]
2-(1-(Acetyloxy)-4-methyl-3-pentenyl)-1,4,5,8-naphthalenetetrol tetraacetate
2-(1-Acetoxy-4-methyl-3-penten-1-yl)-1,4,5,8-naphthalenetetrayl tetraacetate [ACD/IUPAC Name]
2-(1-Acetoxy-4-methyl-3-penten-1-yl)-1,4,5,8-naphthalintetrayl-tetraacetat [German] [ACD/IUPAC Name]
Tetraacétate de 2-(1-acétoxy-4-méthyl-3-pentén-1-yl)-1,4,5,8-naphtalènetétrayle [French] [ACD/IUPAC Name]
103946-64-1 [RN]
2-(1-(acetyloxy)-4-methyl-3-penten-1-yl)-1,4,5,8-naphthalenetetrol 1,4,5,8-tetraacetate

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

Mds 004 [DBID]
Mds-004 [DBID]
NSC289510 [DBID]
NSC291846 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 256.1±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 580.93
ACD/KOC (pH 5.5): 3312.56
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 580.93
ACD/KOC (pH 7.4): 3312.56
Polar Surface Area: 132 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 403.6±3.0 cm3

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