ChemSpider 2D Image | 2,5-Anhydro-1,3,4-trideoxy-1-{[2-(3,4-dimethoxyphenyl)ethyl]({nonanoyl[2-(1-pyrrolidinyl)ethyl]amino}acetyl)amino}-3-methyl-2-thiopentitol | C33H55N3O4S

2,5-Anhydro-1,3,4-trideoxy-1-{[2-(3,4-dimethoxyphenyl)ethyl]({nonanoyl[2-(1-pyrrolidinyl)ethyl]amino}acetyl)amino}-3-methyl-2-thiopentitol

  • Molecular FormulaC33H55N3O4S
  • Average mass589.872 Da
  • Monoisotopic mass589.391357 Da
  • ChemSpider ID110245632

More details:

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

2,5-Anhydro-1,3,4-trideoxy-1-{[2-(3,4-dimethoxyphenyl)ethyl]({nonanoyl[2-(1-pyrrolidinyl)ethyl]amino}acetyl)amino}-3-methyl-2-thiopentitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-1-{[2-(3,4-dimethoxyphenyl)ethyl]({nonanoyl[2-(1-pyrrolidinyl)ethyl]amino}acetyl)amino}-3-methyl-2-thiopentitol [German] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridésoxy-1-{[2-(3,4-diméthoxyphényl)éthyl](2-{nonanoyl[2-(1-pyrrolidinyl)éthyl]amino}acétyl)amino}-3-méthyl-2-thiopentitol [French] [ACD/IUPAC Name]
Pentitol, 2,5-anhydro-1,3,4-trideoxy-1-[[2-(3,4-dimethoxyphenyl)ethyl][2-[(1-oxononyl)[2-(1-pyrrolidinyl)ethyl]amino]acetyl]amino]-3-methyl-2-thio- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 715.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.4±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 95.80
ACD/KOC (pH 5.5): 134.22
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 2483.84
ACD/KOC (pH 7.4): 3479.91
Polar Surface Area: 88 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 550.1±3.0 cm3

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