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Search term: OC[C@@H](O)C1=C[C@H](O)C[C@@](OCC=C)(O1)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Allyl 3,5-dideoxy-6-[(1R)-1,2-dihydroxyethyl]-beta-L-glycero-hex-5-en-2-ulopyranosidonic acid | C11H16O7

Allyl 3,5-dideoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-glycero-hex-5-en-2-ulopyranosidonic acid

  • Molecular FormulaC11H16O7
  • Average mass260.241 Da
  • Monoisotopic mass260.089600 Da
  • ChemSpider ID59053859

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide 3,5-didésoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-glycéro-hex-5-én-2-ulopyranosidonique d'allyle [French] [ACD/IUPAC Name]
Allyl 3,5-dideoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-glycero-hex-5-en-2-ulopyranosidonic acid [ACD/IUPAC Name]
Allyl-3,5-didesoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-glycero-hex-5-en-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
α-D-threo-Oct-5-en-2-ulopyranosidonic acid, 2-propen-1-yl 3,5-dideoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 211.6±23.6 °C
Index of Refraction: 1.577
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 181.4±5.0 cm3

Click to predict properties on the Chemicalize site


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