ChemSpider 2D Image | THP(A) | C6H10N2O3

THP(A)

  • Molecular FormulaC6H10N2O3
  • Average mass158.155 Da
  • Monoisotopic mass158.069138 Da
  • ChemSpider ID21169784

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
(4S,5S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
165542-15-4 [RN]
4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)- [ACD/Index Name]
5-hydroxyectoine
Acide (4S,5S)-5-hydroxy-2-méthyl-1,4,5,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
HYDROXYECTOIN
Hydroxyectoine
MFCD01863080
More...

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

CHEBI:49432 [DBID]
CIJ7YN252E [DBID]
55243_FLUKA [DBID]
70709_FLUKA [DBID]
UNII:CIJ7YN252E [DBID]
UNII-CIJ7YN252E [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 465.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 235.2±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 36.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 100.9±7.0 cm3

Click to predict properties on the Chemicalize site


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