ChemSpider 2D Image | MIRABEGRON N-GLUCURONIDE | C27H32N4O8S

MIRABEGRON N-GLUCURONIDE

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID52084137

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1365244-68-3 [RN]
MIRABEGRON N-GLUCURONIDE
N-[4-(2-{[4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)phenyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-β-D-glucopyranuronosylamin [German] [ACD/IUPAC Name]
N-[4-(2-{[4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)phenyl]amino}-2-oxoethyl)-1,3-thiazol-2-yl]-β-D-glucopyranuronosylamine [ACD/IUPAC Name]
N-[4-(2-{[4-(2-{[(2R)-2-Hydroxy-2-phényléthyl]amino}éthyl)phényl]amino}-2-oxoéthyl)-1,3-thiazol-2-yl]-β-D-glucopyranuronosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranuronosylamine, N-[4-[2-[[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]amino]-2-oxoethyl]-2-thiazolyl]- [ACD/Index Name]

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

8Y8XEI3LHC [DBID]
UNII:8Y8XEI3LHC [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 93.3±3.0 dyne/cm
Molar Volume: 375.7±3.0 cm3

Click to predict properties on the Chemicalize site


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