ChemSpider 2D Image | (1R)-1,4-Anhydro-1-[(2R)-4-carbamoyl-2,5,5-trihydroxy-2,5-dihydro-2-pyridinyl]-D-ribitol | C11H16N2O8

(1R)-1,4-Anhydro-1-[(2R)-4-carbamoyl-2,5,5-trihydroxy-2,5-dihydro-2-pyridinyl]-D-ribitol

  • Molecular FormulaC11H16N2O8
  • Average mass304.253 Da
  • Monoisotopic mass304.090668 Da
  • ChemSpider ID91325504

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R)-1,4-Anhydro-1-[(2R)-4-carbamoyl-2,5,5-trihydroxy-2,5-dihydro-2-pyridinyl]-D-ribitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-[(2R)-4-carbamoyl-2,5,5-trihydroxy-2,5-dihydro-2-pyridinyl]-D-ribitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-[(2R)-4-carbamoyl-2,5,5-trihydroxy-2,5-dihydro-2-pyridinyl]-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-[(2R)-4-(aminocarbonyl)-2,5-dihydro-2,5,5-trihydroxy-2-pyridinyl]-1,4-anhydro-, (1R)- [ACD/Index Name]
1,2,3,3a,4,8b-Hexahydrocyclopenta[b]indole [ACD/IUPAC Name]
1-Ribosylpyridine-4-one-3-carboxamide
78686-01-8 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 868.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.4±6.0 kJ/mol
Flash Point: 479.1±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 186 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 102.5±7.0 dyne/cm
Molar Volume: 152.4±7.0 cm3

Click to predict properties on the Chemicalize site


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