Found 4 results

Search term: MBHUNOHYVYVNIP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,3R)-1-{6-[(2R,3S)-2,3,4-Trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butanetetrol | C12H20N2O7

(1R,2S,3R)-1-{6-[(2R,3S)-2,3,4-Trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butanetetrol

  • Molecular FormulaC12H20N2O7
  • Average mass304.296 Da
  • Monoisotopic mass304.127045 Da
  • ChemSpider ID29789373

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3R)-1-{6-[(2R,3S)-2,3,4-Trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butanetetrol [ACD/IUPAC Name]
(1R,2S,3R)-1-{6-[(2R,3S)-2,3,4-Trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butanetétrol [French] [ACD/IUPAC Name]
(1R,2S,3R)-1-{6-[(2R,3S)-2,3,4-Trihydroxybutyl]-2-pyrazinyl}-1,2,3,4-butantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Butanetetrol, 1-[6-[(2R,3S)-2,3,4-trihydroxybutyl]-2-pyrazinyl]-, (1R,2S,3R)- [ACD/Index Name]
(1R,2S,3R)-1-[6-[(2S,3R)-2,3,4-Trihydroxybutyl]-2-pyrazinyl]-1,2,3,4-butanetetrol
2-(D-Arabino-1',2',3',4'-tetrahydroxybutyl)-6-(D-erythro-2'',3'',4''-trihydroxybutyl)pyrazine
2,6-Deoxyfructosazine
36806-15-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.4±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -6.31
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 103.3±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement