ChemSpider 2D Image | Sclareol | C23H40N6O10

Sclareol

  • Molecular FormulaC23H40N6O10
  • Average mass560.598 Da
  • Monoisotopic mass560.280579 Da
  • ChemSpider ID65321514

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(Z)-N-{(2S,3Z,5S,6Z,8S,9Z,11S,12Z)-1,4,7,10,13-Pentahydroxy-2,8,11-tris(hydroxymethyl)-5-isobutyl-13-[(2S)-2-pyrrolidinyl]-3,6,9,12-tetraazatrideca-3,6,9,12-tetraen-1-yliden}-L-alanin [German] [ACD/IUPAC Name]
(Z)-N-{(2S,3Z,5S,6Z,8S,9Z,11S,12Z)-1,4,7,10,13-Pentahydroxy-2,8,11-tris(hydroxymethyl)-5-isobutyl-13-[(2S)-2-pyrrolidinyl]-3,6,9,12-tetraazatrideca-3,6,9,12-tetraen-1-ylidene}-L-alanine [ACD/IUPAC Name]
(Z)-N-{(2S,3Z,5S,6Z,8S,9Z,11S,12Z)-1,4,7,10,13-Pentahydroxy-2,8,11-tris(hydroxyméthyl)-5-isobutyl-13-[(2S)-2-pyrrolidinyl]-3,6,9,12-tétraazatridéca-3,6,9,12-tétraén-1-ylidène}-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, N-[(2S,3Z,5S,6Z,8S,9Z,11S,12Z)-1,4,7,10,13-pentahydroxy-2,8,11-tris(hydroxymethyl)-5-(2-methylpropyl)-13-[(2S)-2-pyrrolidinyl]-3,6,9,12-tetraazatrideca-3,6,9,12-tetraen-1-ylidene]-, (Z)- [ACD/Index Name]
Sclareol [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 848.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 467.0±37.1 °C
Index of Refraction: 1.629
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 372.1±7.0 cm3

Click to predict properties on the Chemicalize site


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