ChemSpider 2D Image | (1Z)-1-Propen-1-yl (6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-beta-L-erythro-hex-2-ulopyranosidonic acid | C11H18O8

(1Z)-1-Propen-1-yl (6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosidonic acid

  • Molecular FormulaC11H18O8
  • Average mass278.256 Da
  • Monoisotopic mass278.100159 Da
  • ChemSpider ID61713986

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1Z)-1-Propen-1-yl (6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
(1Z)-1-Propen-1-yl-(6R)-3-desoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Acide (6R)-3-désoxy-6-[(1R)-1,2-dihydroxyéthyl]-β-L-érythro-hex-2-ulopyranosidonique de (1Z)-1-propén-1-yle [French] [ACD/IUPAC Name]
α-D-manno-2-Octulopyranosidonic acid, (1Z)-1-propen-1-yl 3-deoxy- [ACD/Index Name]
(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL
KDA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 233.5±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 184.9±5.0 cm3

Click to predict properties on the Chemicalize site


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