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Search term: NQEQTYPJSIEPHW-MNOVXSKESA-L (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3S)-2,3-Dihydroxy-3-(1H-indol-3-yl)propyl phosphate | C11H12NO6P

(2R,3S)-2,3-Dihydroxy-3-(1H-indol-3-yl)propyl phosphate

  • Molecular FormulaC11H12NO6P
  • Average mass285.191 Da
  • Monoisotopic mass285.041321 Da
  • ChemSpider ID26331408

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2,3-Dihydroxy-3-(1H-indol-3-yl)propyl phosphate [ACD/IUPAC Name]
(2R,3S)-2,3-Dihydroxy-3-(1H-indol-3-yl)propylphosphat [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(1H-indol-3-yl)-, 3-(dihydrogen phosphate), ion(2-), (1S,2R)- [ACD/Index Name]
Phosphate de (2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyle [French] [ACD/IUPAC Name]
(1S,2R)-1-(1H-indol-3-yl)-3-(phosphonatooxy)propane-1,2-diol
(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      Dianion of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate arising from deprotonation of both phosphate OH groups. ChEBI CHEBI:58866

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 657.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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