ChemSpider 2D Image | CSID:8685545 | C53H81T2NO14

  • Molecular FormulaC53H81T2NO14
  • Average mass962.241 Da
  • Monoisotopic mass961.597778 Da
  • ChemSpider ID8685545

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-{[2-hydroxy(2,2-3H2)ethyl]oxy}-3-methoxycyclohexyl]-2-propanyl}-19,30-dimethoxy-15,17,21,23,29,3 5-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-2,3,10,14,20-penton [German] [ACD/IUPAC Name]
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24Z,26E,28E,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-{[2-hydroxy(2,2-3H2)éthyl]oxy}-3-méthoxycyclohexyl]-2-propanyl}-19,30-diméthoxy-15,17,21,23,29,3 5-hexaméthyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraène-2,3,10,14,20-pentone [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 998.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.1±6.0 kJ/mol
Flash Point: 557.8±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 992.08
ACD/KOC (pH 5.5): 4858.76
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 991.09
ACD/KOC (pH 7.4): 4853.92
Polar Surface Area: 205 Å2
Polarizability:
Surface Tension:
Molar Volume:

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