Found 1 result

Search term: 78445542 (Found by CSID)
ChemSpider 2D Image | 3-O-[(2E,6E,10E,14Z)-5,9-Dihydroxy-13-(beta-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10,14-icosatetraenoyl]-D-threo-pentitol | C40H70O14

3-O-[(2E,6E,10E,14Z)-5,9-Dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10,14-icosatetraenoyl]-D-threo-pentitol

  • Molecular FormulaC40H70O14
  • Average mass774.975 Da
  • Monoisotopic mass774.476563 Da
  • ChemSpider ID78445542

  • defined stereocentres - 7 of 15 defined stereocentres

More details:

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

3-O-[(2E,6E,10E,14Z)-5,9-Dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10,14-icosatetraenoyl]-D-threo-pentitol [German] [ACD/IUPAC Name]
3-O-[(2E,6E,10E,14Z)-5,9-Dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10,14-icosatetraenoyl]-D-threo-pentitol [ACD/IUPAC Name]
3-O-[(2E,6E,10E,14Z)-5,9-Dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonaméthyl-2,6,10,14-icosatetraenoyl]-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 3-O-[(2E,6E,10E,14Z)-5,9-dihydroxy-13-(β-D-mannopyranosyloxy)-2,4,6,8,10,12,14,16,18-nonamethyl-1-oxo-2,6,10,14-eicosatetraen-1-yl]- [ACD/Index Name]
Roselipin 3C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 921.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.0±6.0 kJ/mol
Flash Point: 267.6±27.8 °C
Index of Refraction: 1.562
Molar Refractivity: 204.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.50
ACD/KOC (pH 5.5): 624.40
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.50
ACD/KOC (pH 7.4): 624.40
Polar Surface Area: 247 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 630.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement