Found 1 result

Search term: valienol 1-phosphate (Found by approved synonym)
ChemSpider 2D Image | valienol 1-phosphate | C7H13O8P

valienol 1-phosphate

  • Molecular FormulaC7H13O8P
  • Average mass256.147 Da
  • Monoisotopic mass256.034790 Da
  • ChemSpider ID58161357

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,5S,6R)-4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(1S,4R,5S,6R)-4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
5-Cyclohexene-1,2,3,4-tetrol, 5-(hydroxymethyl)-, 1-(dihydrogen phosphate), (1S,2R,3S,4R)- [ACD/Index Name]
Dihydrogénophosphate de (1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxyméthyl)-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
valienol 1-phosphate
(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl dihydrogen phosphate
valienol 1-monophosphate

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

Density: 1.8±0.1 g/cm3
Boiling Point: 559.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 292.1±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 49.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -5.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 139.2±5.0 cm3

Click to predict properties on the Chemicalize site


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