ChemSpider 2D Image | (1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-Carboxy-6-cyano-1-hydroxy-7,15-bis(methoxymethoxy)-8,10,12,14-tetramethyl-3,5-hexadecadien-1-yl]cyclopentanecarboxylic acid | C32H53NO9

(1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-Carboxy-6-cyano-1-hydroxy-7,15-bis(methoxymethoxy)-8,10,12,14-tetramethyl-3,5-hexadecadien-1-yl]cyclopentanecarboxylic acid

  • Molecular FormulaC32H53NO9
  • Average mass595.765 Da
  • Monoisotopic mass595.372009 Da
  • ChemSpider ID9355989

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-Carboxy-6-cyan-1-hydroxy-7,15-bis(methoxymethoxy)-8,10,12,14-tetramethyl-3,5-hexadecadien-1-yl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-Carboxy-6-cyano-1-hydroxy-7,15-bis(methoxymethoxy)-8,10,12,14-tetramethyl-3,5-hexadecadien-1-yl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-carboxy-6-cyano-1-hydroxy-7,15-bis(méthoxyméthoxy)-8,10,12,14-tétraméthyl-3,5-hexadécadién-1-yl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[(1S,3E,5Z,7R,8S,10R,12S,14S,15S)-16-carboxy-6-cyano-1-hydroxy-7,15-bis(methoxymethoxy)-8,10,12,14-tetramethyl-3,5-hexadecadien-1-yl]-, (1R,2R)- [ACD/Index 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: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction: 1.510
Molar Refractivity: 159.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 12.62
ACD/KOC (pH 5.5): 50.50
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 533.0±3.0 cm3

Click to predict properties on the Chemicalize site


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