ChemSpider 2D Image | (8R,13S)-13-{[1-Acetyl-3-(4-hydroxyphenyl)prolyl]amino}-6,14-dioxo-10-thia-7,15-diazaspiro[4.12]heptadecane-8-carboxylic acid | C28H38N4O7S

(8R,13S)-13-{[1-Acetyl-3-(4-hydroxyphenyl)prolyl]amino}-6,14-dioxo-10-thia-7,15-diazaspiro[4.12]heptadecane-8-carboxylic acid

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID23115504

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(8R,13S)-13-{[1-Acetyl-3-(4-hydroxyphenyl)prolyl]amino}-6,14-dioxo-10-thia-7,15-diazaspiro[4.12]heptadecan-8-carbonsäure [German] [ACD/IUPAC Name]
(8R,13S)-13-{[1-Acetyl-3-(4-hydroxyphenyl)prolyl]amino}-6,14-dioxo-10-thia-7,15-diazaspiro[4.12]heptadecane-8-carboxylic acid [ACD/IUPAC Name]
10-Thia-7,15-diazaspiro[4.12]heptadecane-8-carboxylic acid, 13-[[[1-acetyl-3-(4-hydroxyphenyl)-2-pyrrolidinyl]carbonyl]amino]-6,14-dioxo-, (8R,13S)- [ACD/Index Name]
Acide (8R,13S)-13-{[1-acétyl-3-(4-hydroxyphényl)prolyl]amino}-6,14-dioxo-10-thia-7,15-diazaspiro[4.12]heptadécane-8-carboxylique [French] [ACD/IUPAC Name]
(8R,13S)-13-{[1-Acetyl-3-(4-hydroxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-6,14-dioxo-10-thia-7,15-diaza-spiro[4.12]heptadecane-8-carboxylic acid
CHEMBL17300

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1011.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.6±3.0 kJ/mol
Flash Point: 565.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 415.8±5.0 cm3

Click to predict properties on the Chemicalize site


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