ChemSpider 2D Image | (2S,3R,4S,5S,6S,7Z)-1-[(1S,2S)-2-{(2S,3S,4S,5Z,7S)-3,7-Dihydroxy-8-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-4-methyl-5-octen-2-yl}cyclopropyl]-3-hydroxy-2,4,6-trimethyl-7,9 -decadien-5-yl carbamate | C33H55NO8

(2S,3R,4S,5S,6S,7Z)-1-[(1S,2S)-2-{(2S,3S,4S,5Z,7S)-3,7-Dihydroxy-8-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-4-methyl-5-octen-2-yl}cyclopropyl]-3-hydroxy-2,4,6-trimethyl-7,9 -decadien-5-yl carbamate

  • Molecular FormulaC33H55NO8
  • Average mass593.792 Da
  • Monoisotopic mass593.392761 Da
  • ChemSpider ID9824818

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S,3R,4S,5S,6S,7Z)-1-[(1S,2S)-2-{(2S,3S,4S,5Z,7S)-3,7-Dihydroxy-8-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-4-methyl-5-octen-2-yl}cyclopropyl]-3-hydroxy-2,4,6-trimethyl-7,9 -decadien-5-yl carbamate [ACD/IUPAC Name]
(2S,3R,4S,5S,6S,7Z)-1-[(1S,2S)-2-{(2S,3S,4S,5Z,7S)-3,7-Dihydroxy-8-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-4-methyl-5-octen-2-yl}cyclopropyl]-3-hydroxy-2,4,6-trimethyl-7,9 -decadien-5-ylcarbamat [German] [ACD/IUPAC Name]
Carbamate de (2S,3R,4S,5S,6S,7Z)-1-[(1S,2S)-2-{(2S,3S,4S,5Z,7S)-3,7-dihydroxy-8-[(2S,3R,4S,5R)-4-hydroxy-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-4-méthyl-5-octén-2-yl}cyclopropyl]-3-hydroxy-2,4,6- triméthyl-7,9-décadién-5-yle [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: 780.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 426.1±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.58
ACD/KOC (pH 5.5): 1343.03
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.58
ACD/KOC (pH 7.4): 1343.03
Polar Surface Area: 160 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 532.0±3.0 cm3

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