Found 99 results

Search term: MF = 'C_{16}H_{27}NO_{8}'
ChemSpider 2D Image | (6R)-2,6-Anhydro-3,5-dideoxy-5-[(2-methylhexanoyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C16H27NO8

(6R)-2,6-Anhydro-3,5-dideoxy-5-[(2-methylhexanoyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC16H27NO8
  • Average mass361.388 Da
  • Monoisotopic mass361.173676 Da
  • ChemSpider ID128440473

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-2,6-Anhydro-3,5-dideoxy-5-[(2-methylhexanoyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-2,6-Anhydro-3,5-didesoxy-5-[(2-methylhexanoyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-2,6-anhydro-3,5-didésoxy-5-[(2-méthylhexanoyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 2,6-anhydro-3,5-dideoxy-5-[(2-methyl-1-oxohexyl)amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4472555/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 265.1±5.0 cm3

Click to predict properties on the Chemicalize site


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