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Search term: peregrinol diphosphate (Found by synonym)

ChemSpider 2D Image | (2E)-5-[(1R,2R,4aS,8aS)-1-Hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl trihydrogen diphosphate | C20H38O8P2

(2E)-5-[(1R,2R,4aS,8aS)-1-Hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl trihydrogen diphosphate

  • Molecular FormulaC20H38O8P2
  • Average mass468.458 Da
  • Monoisotopic mass468.204193 Da
  • ChemSpider ID64808400
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2E)-5-[(1R,2R,4aS,8aS)-1-Hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-5-[(1R,2R,4aS,8aS)-1-Hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl]-3-methyl-2-penten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E)-5-[(1R,2R,4aS,8aS)-decahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-methyl-2-penten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl]-3-méthyl-2-pentén-1-yle [French] [ACD/IUPAC Name]
(2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate
peregrinol diphosphate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.3±30.7 °C
Index of Refraction: 1.515
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 377.6±3.0 cm3

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