ChemSpider 2D Image | 2,7:3,6-dianhydro-6-(carboxymethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)-D-arabino-heptitol | C20H34O5

2,7:3,6-dianhydro-6-(carboxymethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)-D-arabino-heptitol

  • Molecular FormulaC20H34O5
  • Average mass354.481 Da
  • Monoisotopic mass354.240631 Da
  • ChemSpider ID23236545

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S)-1,6:2,5-Dianhydro-5-(carboxymethyl)-3,4-dideoxy-1-(5-hydroxy-4,8-dimethyl-7-nonen-1-yl)-1-methyl-D-erythro-hexitol [ACD/IUPAC Name]
(1S)-1,6:2,5-Dianhydro-5-(carboxymethyl)-3,4-didesoxy-1-(5-hydroxy-4,8-dimethyl-7-nonen-1-yl)-1-methyl-D-erythro-hexitol [German] [ACD/IUPAC Name]
(1S)-1,6:2,5-Dianhydro-5-(carboxyméthyl)-3,4-didésoxy-1-(5-hydroxy-4,8-diméthyl-7-nonén-1-yl)-1-méthyl-D-érythro-hexitol [French] [ACD/IUPAC Name]
2,7:3,6-dianhydro-6-(carboxymethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)-D-arabino-heptitol
D-arabino-Heptitol, 2,7:3,6-dianhydro-6-C-(carboxymethyl)-1,4,5-trideoxy-2-C-(5-hydroxy-4,8-dimethyl-7-nonen-1-yl)- [ACD/Index Name]
[4-(5-Hydroxy-4,8-dimethyl-non-7-enyl)-4-methyl-3,8-dioxa-bicyclo[3.2.1]oct-1-yl]-acetic acid
2-[(1R,4S,5R)-4-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 167.4±16.7 °C
Index of Refraction: 1.501
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 30.83
ACD/KOC (pH 5.5): 219.17
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 76 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 328.2±3.0 cm3

Click to predict properties on the Chemicalize site


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