ChemSpider 2D Image | [(2S,3R)-1-{[(4S)-1-(2-Aminoethyl)-4-azepanyl]carbamoyl}-2-formyl-3-pyrrolidinyl]sulfamic acid | C14H27N5O5S

[(2S,3R)-1-{[(4S)-1-(2-Aminoethyl)-4-azepanyl]carbamoyl}-2-formyl-3-pyrrolidinyl]sulfamic acid

  • Molecular FormulaC14H27N5O5S
  • Average mass377.460 Da
  • Monoisotopic mass377.173279 Da
  • ChemSpider ID26328845
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(2S,3R)-1-{[(4S)-1-(2-Aminoethyl)-4-azepanyl]carbamoyl}-2-formyl-3-pyrrolidinyl]sulfamic acid [ACD/IUPAC Name]
[(2S,3R)-1-{[(4S)-1-(2-Aminoethyl)-4-azepanyl]carbamoyl}-2-formyl-3-pyrrolidinyl]sulfamidsäure [German] [ACD/IUPAC Name]
[(2s,3r)-1-{[(4s)-1-(2-Aminoethyl)azepan-4-Yl]carbamoyl}-2-Formylpyrrolidin-3-Yl]sulfamic Acid
Acide [(2S,3R)-1-{[(4S)-1-(2-aminoéthyl)-4-azépanyl]carbamoyl}-2-formyl-3-pyrrolidinyl]sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[(2S,3R)-1-[[[(4S)-1-(2-aminoethyl)hexahydro-1H-azepin-4-yl]amino]carbonyl]-2-formyl-3-pyrrolidinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 92.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 266.6±5.0 cm3

Click to predict properties on the Chemicalize site






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