ChemSpider 2D Image | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE | C5H12O9P2

2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE

  • Molecular FormulaC5H12O9P2
  • Average mass278.091 Da
  • Monoisotopic mass277.995667 Da
  • ChemSpider ID26330160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S,6R,7R) 2,4-Dioxyde de 6-(hydroxyméthyl)-6-méthyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol [French] [ACD/IUPAC Name]
(2S,4S,6R,7R)-6-(Hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocan-2,4,7-triol-2,4-dioxid [German] [ACD/IUPAC Name]
(2S,4S,6R,7R)-6-(Hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide [ACD/IUPAC Name]
1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, (2S,4S,6R,7R)- [ACD/Index Name]
2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
(6R,7R)-2,4,7-trihydroxy-6-(hydroxymethyl)-6-methyl-1,3,5,2λ5,4λ5-trioxadiphosphocane-2,4-dione
(6R,7R)-2,4,7-trihydroxy-6-(hydroxymethyl)-6-methyl-1,3,5,2λ⁵,4λ⁵-trioxadiphosphocane-2,4-dione

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

Density: 1.8±0.1 g/cm3
Boiling Point: 483.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 246.0±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 48.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 162 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 155.1±5.0 cm3

Click to predict properties on the Chemicalize site


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