ChemSpider 2D Image | (3beta,5alpha,6alpha,9xi,20R)-5,6,20,25-Tetrahydroxycholesta-7,14-dien-3-yl dihydrogen phosphate | C27H45O8P

(3β,5α,6α,9ξ,20R)-5,6,20,25-Tetrahydroxycholesta-7,14-dien-3-yl dihydrogen phosphate

  • Molecular FormulaC27H45O8P
  • Average mass528.615 Da
  • Monoisotopic mass528.285217 Da
  • ChemSpider ID9641529

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5α,6α,9ξ,20R)-5,6,20,25-Tetrahydroxycholesta-7,14-dien-3-yl dihydrogen phosphate [ACD/IUPAC Name]
(3β,5α,6α,9ξ,20R)-5,6,20,25-Tetrahydroxycholesta-7,14-dien-3-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Cholesta-7,14-diene-3,5,6,20,25-pentol, 3-(dihydrogen phosphate), (3β,5α,6α,9ξ,20R)- [ACD/Index Name]
Dihydrogénophosphate de (3β,5α,6α,9ξ,20R)-5,6,20,25-tétrahydroxycholesta-7,14-dién-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 389.2±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 401.6±5.0 cm3

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