ChemSpider 2D Image | (1R,2R,3R,4S,5S)-4-Amino-5-(methylsulfinyl)-1,2,3-cyclopentanetriol | C6H13NO4S

(1R,2R,3R,4S,5S)-4-Amino-5-(methylsulfinyl)-1,2,3-cyclopentanetriol

  • Molecular FormulaC6H13NO4S
  • Average mass195.237 Da
  • Monoisotopic mass195.056534 Da
  • ChemSpider ID59701060

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3R,4S,5S)-4-Amino-5-(methylsulfinyl)-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1R,2R,3R,4S,5S)-4-Amino-5-(méthylsulfinyl)-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1R,2R,3R,4S,5S)-4-Amino-5-(methylsulfinyl)-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
(1R,2R,3R,4S,5S)-4-Amino-5-[(R)-methylsulfinyl]-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1R,2R,3R,4S,5S)-4-Amino-5-[(R)-méthylsulfinyl]-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1R,2R,3R,4S,5S)-4-Amino-5-[(R)-methylsulfinyl]-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
1,2,3-Cyclopentanetriol, 4-amino-5-(methylsulfinyl)-, (1R,2R,3R,4S,5S)- [ACD/Index Name]
1,2,3-Cyclopentanetriol, 4-amino-5-[(R)-(1R)-methylsulfinyl]-, (1R,2R,3R,4S,5S)- [ACD/Index Name]
Mannostatin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 453.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 228.3±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 44.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 119.7±5.0 cm3

Click to predict properties on the Chemicalize site


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