ChemSpider 2D Image | Aganepag ethanediol | C26H35NO5S

Aganepag ethanediol

  • Molecular FormulaC26H35NO5S
  • Average mass473.625 Da
  • Monoisotopic mass473.223602 Da
  • ChemSpider ID28529442

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1192760-33-0 [RN]
2-Hydroxyethyl 5-{3-[(2S)-1-{4-[(1S)-1-hydroxyhexyl]phenyl}-5-oxo-2-pyrrolidinyl]propyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
2-Hydroxyethyl-5-{3-[(2S)-1-{4-[(1S)-1-hydroxyhexyl]phenyl}-5-oxo-2-pyrrolidinyl]propyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-, 2-hydroxyethyl ester [ACD/Index Name]
5-{3-[(2S)-1-{4-[(1S)-1-Hydroxyhexyl]phényl}-5-oxo-2-pyrrolidinyl]propyl}-2-thiophènecarboxylate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
Aganepag ethanediol [USAN]
J7L0ZSN36Y
2-hydroxyethyl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
UNII:J7L0ZSN36Y
UNII-J7L0ZSN36Y

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

AGN-212409 [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: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1939.19
ACD/KOC (pH 5.5): 7850.08
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1939.21
ACD/KOC (pH 7.4): 7850.16
Polar Surface Area: 115 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 393.7±3.0 cm3

Click to predict properties on the Chemicalize site


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