ChemSpider 2D Image | dTDP-N-hydroxy-beta-L-evernosamine | C18H31N3O14P2

dTDP-N-hydroxy-β-L-evernosamine

  • Molecular FormulaC18H31N3O14P2
  • Average mass575.398 Da
  • Monoisotopic mass575.128113 Da
  • ChemSpider ID30786267

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5R,6S)-4-(Hydroxyamino)-5-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphospha te [ACD/IUPAC Name]
(2R,4S,5R,6S)-4-(Hydroxyamino)-5-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,4S,5R,6S)-4-(hydroxyamino)-5-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yle et de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-fu ranyl]méthyle [French] [ACD/IUPAC Name]
dTDP-N-hydroxy-β-L-evernosamine
dTDP-2,3,6-trideoxy-3-(hydroxyamino)-3-methyl-4-O-methyl-β-L-arabino-hexopyranose

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: 1.588
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

Click to predict properties on the Chemicalize site


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