ChemSpider 2D Image | [(2S,3R)-2-Formyl-1-{[4-(methylamino)butyl]carbamoyl}-3-pyrrolidinyl]sulfamic acid | C11H22N4O5S

[(2S,3R)-2-Formyl-1-{[4-(methylamino)butyl]carbamoyl}-3-pyrrolidinyl]sulfamic acid

  • Molecular FormulaC11H22N4O5S
  • Average mass322.381 Da
  • Monoisotopic mass322.131104 Da
  • ChemSpider ID26325551

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R)-2-Formyl-1-{[4-(methylamino)butyl]carbamoyl}-3-pyrrolidinyl]sulfamic acid [ACD/IUPAC Name]
[(2S,3R)-2-Formyl-1-{[4-(methylamino)butyl]carbamoyl}-3-pyrrolidinyl]sulfamidsäure [German] [ACD/IUPAC Name]
[(2s,3r)-2-Formyl-1-{[4-(Methylamino)butyl]carbamoyl}pyrrolidin-3-Yl]sulfamic Acid
Acide [(2S,3R)-2-formyl-1-{[4-(méthylamino)butyl]carbamoyl}-3-pyrrolidinyl]sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[(2S,3R)-2-formyl-1-[[[4-(methylamino)butyl]amino]carbonyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 233.7±5.0 cm3

Click to predict properties on the Chemicalize site


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