ChemSpider 2D Image | (3S,4R,5S)-5-{[1,3-Dihydroxy(~13~C_3_)-2-propanyl]amino}-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol | C713C3H21NO7

(3S,4R,5S)-5-{[1,3-Dihydroxy(13C3)-2-propanyl]amino}-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol

  • Molecular FormulaC713C3H21NO7
  • Average mass270.254 Da
  • Monoisotopic mass270.141876 Da
  • ChemSpider ID114392708

  • defined stereocentres - 3 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4R,5S)-5-{[1,3-Dihydroxy(13C3)-2-propanyl]amino}-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(3S,4R,5S)-5-{[1,3-Dihydroxy(13C3)-2-propanyl]amino}-1-(hydroxyméthyl)-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
(3S,4R,5S)-5-{[1,3-Dihydroxy(13C3)-2-propanyl]amino}-1-(hydroxymethyl)-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-[[2-hydroxy-1-(hydroxymethyl-13C)ethyl-1,2-13C2]amino]-1-(hydroxymethyl)-, (3S,4R,5S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 99.7±5.0 dyne/cm
Molar Volume: 169.1±5.0 cm3

Click to predict properties on the Chemicalize site


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