ChemSpider 2D Image | (3S,4S,4aR,5aS,6S,8aR,8bR)-5a-(Carboxymethyl)-3,4-dihydroxydecahydropyrano[2',3':4,5]furo[2,3-c]pyrrole-6-carboxylic acid | C12H17NO8

(3S,4S,4aR,5aS,6S,8aR,8bR)-5a-(Carboxymethyl)-3,4-dihydroxydecahydropyrano[2',3':4,5]furo[2,3-c]pyrrole-6-carboxylic acid

  • Molecular FormulaC12H17NO8
  • Average mass303.265 Da
  • Monoisotopic mass303.095428 Da
  • ChemSpider ID25032584

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4S,4aR,5aS,6S,8aR,8bR)-5a-(Carboxymethyl)-3,4-dihydroxydecahydropyrano[2',3':4,5]furo[2,3-c]pyrrol-6-carbonsäure [German] [ACD/IUPAC Name]
(3S,4S,4aR,5aS,6S,8aR,8bR)-5a-(Carboxymethyl)-3,4-dihydroxydecahydropyrano[2',3':4,5]furo[2,3-c]pyrrole-6-carboxylic acid [ACD/IUPAC Name]
Acide (3S,4S,4aR,5aS,6S,8aR,8bR)-5a-(carboxyméthyl)-3,4-dihydroxydécahydropyrano[2',3':4,5]furo[2,3-c]pyrrole-6-carboxylique [French] [ACD/IUPAC Name]
Pyrano[2',3':4,5]furo[2,3-c]pyrrole-5a(2H)-acetic acid, 6-carboxyoctahydro-3,4-dihydroxy-, (3S,4S,4aR,5aS,6S,8aR,8bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 670.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 359.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 186.2±3.0 cm3

Click to predict properties on the Chemicalize site


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