ChemSpider 2D Image | [(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-pyrrolidinylcarbonyl]sulfamate (non-preferred name) | C15H21N7O7S

[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-pyrrolidinylcarbonyl]sulfamate (non-preferred name)

  • Molecular FormulaC15H21N7O7S
  • Average mass443.435 Da
  • Monoisotopic mass443.122314 Da
  • ChemSpider ID62400256

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-N-({[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}sulfonyl)-2-pyrrolidiniumcarboximidat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-N-({[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}sulfonyl)-2-pyrrolidiniumcarboximidate (non-preferred name) [ACD/IUPAC Name]
(2S)-N-({[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}sulfonyl)-2-pyrrolidiniumcarboximidate (non-preferred name) [French] [ACD/IUPAC Name]
[(2S)-2-Pyrrolidinylcarbonyl]sulfamate de [(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-pyrrolidinylcarbonyl]sulfamate (non-preferred name) [ACD/IUPAC Name]
[(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2S)-2-pyrrolidinylcarbonyl]sulfamat (non-preferred name) [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[(2S)-2-pyrrolidinylcarbonyl]amino]sulfonyl]-α-L-lyxofuranosyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.864
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 104.5±7.0 dyne/cm
Molar Volume: 216.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement