ChemSpider 2D Image | CSID:8661280 | C49H75NO13

  • Molecular FormulaC49H75NO13
  • Average mass886.119 Da
  • Monoisotopic mass885.523865 Da
  • ChemSpider ID8661280

  • 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,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-11-{(2R)-1-[(3S,4S)-3,4-Dihydroxycyclohexyl]-2-propanyl}-1,17-dihydroxy-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyc ;lo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraen-2,3,9,13,19-penton [German] [ACD/IUPAC Name]
(1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-11-{(2R)-1-[(3S,4S)-3,4-Dihydroxycyclohexyl]-2-propanyl}-1,17-dihydroxy-18,29-diméthoxy-14,16,20,22,28,34-hexaméthyl-10,35-dioxa-4-azatricyc ;lo[29.3.1.04,8]pentatriaconta-15,23,25,27-tétraène-2,3,9,13,19-pentone [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: 966.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.6±6.0 kJ/mol
Flash Point: 538.3±37.1 °C
Index of Refraction: 1.561
Molar Refractivity: 237.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.42
ACD/KOC (pH 5.5): 1633.84
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.14
ACD/KOC (pH 7.4): 1631.71
Polar Surface Area: 206 Å2
Polarizability: 94.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 732.9±5.0 cm3

Click to predict properties on the Chemicalize site


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