ChemSpider 2D Image | 1-O-(Hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)-D-mannopyranose | C61H101O9P

1-O-(Hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)-D-mannopyranose

  • Molecular FormulaC61H101O9P
  • Average mass1009.423 Da
  • Monoisotopic mass1008.718323 Da
  • ChemSpider ID4573793

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-O-(Hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)-D-mannopyranose [German] [ACD/IUPAC Name]
1-O-(Hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphoryl)-D-mannopyranose [ACD/IUPAC Name]
1-O-(Hydroxy{[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undécaméthyl-2,6,10,14,18,22,26,30,34,38,42-tétratétracontaundécaén-1-yl]oxy}phosphoryl)-D-mannopyranose [French] [ACD/IUPAC Name]
D-Mannopyranose, 1-O-[hydroxy[[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy]phosphinyl]- [ACD/Index Name]
1-O-{hydroxy[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yloxy]phosphoryl}-D-mannopyranose
D-mannosyl undecaprenyl phosphate
D-mannosyl-1-phosphoundecaprenol

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

C15542 [DBID]
CHEBI:29051 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 964.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.3±6.0 kJ/mol
Flash Point: 537.2±37.1 °C
Index of Refraction: 1.539
Molar Refractivity: 298.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 20.66
ACD/LogD (pH 5.5): 13.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 156 Å2
Polarizability: 118.3±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 953.6±5.0 cm3

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