ChemSpider 2D Image | (3Z,5S,6S,7S,8S,9S,11Z,13S,14R,15S,16E,18R)-14,18-Dihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,8,9,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non- preferred name) | C33H55NO7

(3Z,5S,6S,7S,8S,9S,11Z,13S,14R,15S,16E,18R)-14,18-Dihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,8,9,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non- preferred name)

  • Molecular FormulaC33H55NO7
  • Average mass577.792 Da
  • Monoisotopic mass577.397827 Da
  • ChemSpider ID8320315

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3Z,5S,6S,7S,8S,9S,11Z,13S,14R,15S,16E,18R)-14,18-Dihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,8,9,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non- preferred name) [ACD/IUPAC Name]
(3Z,5S,6S,7S,8S,9S,11Z,13S,14R,15S,16E,18R)-14,18-Dihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,8,9,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-ylcarbamat (non-pr eferred name) [German] [ACD/IUPAC Name]
Carbamate de (3Z,5S,6S,7S,8S,9S,11Z,13S,14R,15S,16E,18R)-14,18-dihydroxy-19-[(3R,4S,5R)-4-hydroxy-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-5,7,8,9,13,15-hexaméthyl-1,3,11,16-nonadécatétraén-6-yle ( non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 742.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1903.39
ACD/KOC (pH 5.5): 7746.11
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1903.39
ACD/KOC (pH 7.4): 7746.09
Polar Surface Area: 139 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 546.2±3.0 cm3

Click to predict properties on the Chemicalize site


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