ChemSpider 2D Image | Trehalose-6-phosphate | C12H23O14P

Trehalose-6-phosphate

  • Molecular FormulaC12H23O14P
  • Average mass422.276 Da
  • Monoisotopic mass422.082550 Da
  • ChemSpider ID26329725
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

6-O-Phosphono-β-L-glucopyranosyl β-L-glucopyranoside [ACD/IUPAC Name]
6-O-Phosphono-β-L-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Trehalose-6-phosphate
β-L-Glucopyranoside de 6-O-phosphono-β-L-glucopyranosyle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, 6-O-phosphono-β-L-glucopyranosyl [ACD/Index Name]
{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
4484-88-2 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 789.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 431.4±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.23
ACD/LogD (pH 5.5): -6.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 120.4±5.0 dyne/cm
Molar Volume: 222.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement