ChemSpider 2D Image | (4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)proline | C15H28N4O7S2

(4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)proline

  • Molecular FormulaC15H28N4O7S2
  • Average mass440.535 Da
  • Monoisotopic mass440.139954 Da
  • ChemSpider ID26393964

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)prolin [German] [ACD/IUPAC Name]
(4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]-3-pyrrolidinyl}sulfanyl)proline [ACD/IUPAC Name]
(4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-méthyl-3-({(3S,5S)-5-[(sulfamoylamino)méthyl]-3-pyrrolidinyl}sulfanyl)proline [French] [ACD/IUPAC Name]
Proline, 3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-, (4R,5S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 411.1±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

Click to predict properties on the Chemicalize site


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