ChemSpider 2D Image | CSID:8367080 | C53H84NO14P

  • Molecular FormulaC53H84NO14P
  • Average mass990.206 Da
  • Monoisotopic mass989.562927 Da
  • ChemSpider ID8367080

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1R,2R)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-Dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9 ]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl}-2-methoxycyclohexyl-dimethylphosphinat [German] [ACD/IUPAC Name]
Diméthylphosphinate de (1R,2R)-4-{(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-diméthoxy-15,17,21,23,29,35-hexaméthyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-az ;atricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraén-12-yl]propyl}-2-méthoxycyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 996.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.6±6.0 kJ/mol
Flash Point: 556.3±37.1 °C
Index of Refraction: 1.539
Molar Refractivity: 262.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 711.61
ACD/KOC (pH 5.5): 3830.31
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 710.90
ACD/KOC (pH 7.4): 3826.50
Polar Surface Area: 211 Å2
Polarizability: 104.2±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 839.1±5.0 cm3

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