ChemSpider 2D Image | PHENYLEPHRINE-3-O-SULFATE | C9H13NO5S

PHENYLEPHRINE-3-O-SULFATE

  • Molecular FormulaC9H13NO5S
  • Average mass247.268 Da
  • Monoisotopic mass247.051437 Da
  • ChemSpider ID34984043

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1242184-39-9 [RN]
3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenyl hydrogen sulfate [ACD/IUPAC Name]
3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenylhydrogensulfat [German] [ACD/IUPAC Name]
Benzenemethanol, α-[(methylamino)methyl]-3-(sulfooxy)-, (αR)- [ACD/Index Name]
Hydrogénosulfate de 3-[(1R)-1-hydroxy-2-(méthylamino)éthyl]phényle [French] [ACD/IUPAC Name]
PHENYLEPHRINE-3-O-SULFATE
(R)-3-(1-hydroxy-2-(methylamino)ethyl)phenyl hydrogen sulfate
(R)-Phenylephrine 3-O-Sulfate
(R)-Phenylephrine3-O-Sulfate
[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate

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

3N3208T8VZ [DBID]
UNII:3N3208T8VZ [DBID]
UNII-3N3208T8VZ [DBID]

    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: 1.589
    Molar Refractivity: 57.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -3.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 62.8±3.0 dyne/cm
    Molar Volume: 171.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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