ChemSpider 2D Image | (2-{[(1s,2R,3R,4r,5S,6S)-4-(Benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid | C15H25O22P5

(2-{[(1s,2R,3R,4r,5S,6S)-4-(Benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid

  • Molecular FormulaC15H25O22P5
  • Average mass712.215 Da
  • Monoisotopic mass711.952576 Da
  • ChemSpider ID35034889
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2-{[(1s,2R,3R,4r,5S,6S)-4-(Benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid [ACD/IUPAC Name]
(2-{[(1s,2R,3R,4r,5S,6S)-4-(Benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-phosphono-, (1α,2β,3α,4α,5α,6β)-4-(phenylmethoxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl ester [ACD/Index Name]
Acide (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tétrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoéthyl)phosphonique [French] [ACD/IUPAC Name]
2OU

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1085.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.8±3.0 kJ/mol
Flash Point: 610.1±37.1 °C
Index of Refraction: 1.625
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.14
ACD/LogD (pH 5.5): -14.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -18.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 409 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 119.1±5.0 dyne/cm
Molar Volume: 356.2±5.0 cm3

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