ChemSpider 2D Image | 1,3-Dioxan-5-yl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate | C29H40N2O8S

1,3-Dioxan-5-yl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID416469

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-3-{(Cyclopentylméthyl)[(4-méthoxyphényl)sulfonyl]amino}-2-hydroxypropyl](2-phényléthyl)carbamate de 1,3-dioxan-5-yle [French] [ACD/IUPAC Name]
1,3-Dioxan-5-yl [(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamate [ACD/IUPAC Name]
1,3-Dioxan-5-yl-[(2S)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl](2-phenylethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2S)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxypropyl]-N-(2-phenylethyl)-, 1,3-dioxan-5-yl ester [ACD/Index Name]
{(S)-3-[Cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-phenethyl-carbamic acid [1,3]dioxan-5-yl ester
CHEMBL122542
N-((2S)-3-{(Cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-1,3-dioxan-5-yloxy-N-(2-phenylethyl)carboxamide

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

AIDS082060 [DBID]
AIDS-082060 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.6±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1395.05
ACD/KOC (pH 5.5): 6201.47
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1395.04
ACD/KOC (pH 7.4): 6201.46
Polar Surface Area: 123 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 440.0±5.0 cm3

Click to predict properties on the Chemicalize site


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