ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-decatrien-2-yl]-4-deoxy-2-O-glycyl-4-methyl-3-O-methyl-L-arabinitol | C19H31NO4

(1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-decatrien-2-yl]-4-deoxy-2-O-glycyl-4-methyl-3-O-methyl-L-arabinitol

  • Molecular FormulaC19H31NO4
  • Average mass337.454 Da
  • Monoisotopic mass337.225311 Da
  • ChemSpider ID114814508

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-decatrien-2-yl]-4-deoxy-2-O-glycyl-4-methyl-3-O-methyl-L-arabinitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-decatrien-2-yl]-4-desoxy-2-O-glycyl-4-methyl-3-O-methyl-L-arabinitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2E,4E,6E)-2,4,6-décatrién-2-yl]-4-désoxy-2-O-glycyl-4-méthyl-3-O-méthyl-L-arabinitol [French] [ACD/IUPAC Name]
L-manno-Heptitol, 3,7-anhydro-1,2,6-trideoxy-6-methyl-5-O-methyl-2-[(2E,4E)-2,4-octadien-1-ylidene]-, 4-(2-aminoacetate) [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 435.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 123.8±25.0 °C
Index of Refraction: 1.507
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 33.26
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 129.79
ACD/KOC (pH 7.4): 988.93
Polar Surface Area: 71 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 323.7±5.0 cm3

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