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Search term: DTKDYAXITHKMGK-GMSGAONNSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (1R,2R)-2-Amino-1,2,3,4-tetrahydro-1,6,7-naphthalenetriol | C10H13NO3

(1R,2R)-2-Amino-1,2,3,4-tetrahydro-1,6,7-naphthalenetriol

  • Molecular FormulaC10H13NO3
  • Average mass195.215 Da
  • Monoisotopic mass195.089539 Da
  • ChemSpider ID23107894
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-2-Amino-1,2,3,4-tétrahydro-1,6,7-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,2R)-2-Amino-1,2,3,4-tetrahydro-1,6,7-naphthalenetriol [ACD/IUPAC Name]
(1R,2R)-2-Amino-1,2,3,4-tetrahydro-1,6,7-naphthalintriol [German] [ACD/IUPAC Name]
1,6,7-Naphthalenetriol, 2-amino-1,2,3,4-tetrahydro-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-amino-1,2,3,4-tetrahydronaphthalene-1,6,7-triol
2-Amino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 224.9±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -3.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 137.7±3.0 cm3

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