ChemSpider 2D Image | (2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-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 diphosphate (non-preferred name) | C18H31N3O13P2

(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-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 diphosphate (non-preferred name)

  • Molecular FormulaC18H31N3O13P2
  • Average mass559.399 Da
  • Monoisotopic mass559.133240 Da
  • ChemSpider ID389910

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-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 diphosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-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 (no n-preferred name) [German] [ACD/IUPAC Name]
294178-48-6 [RN]
Dihydrogénodiphosphate de (2R,3R,4S,6R)-4-(diméthylamino)-3-hydroxy-6-méthyltétrahydro-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-furan yl]méthyle [French] [ACD/IUPAC Name]
dTDP-3-dimethylamino-3,4,6-trideoxy-α-D-glucose
dtdp-desosamine
dTDP-α-D-desosamine
TDP-α-D-desosamine
thymidine 5'-[3-(3,4,6-trideoxy-3-dimethylamino-D-glucopyranosyl) dihydrogen diphosphate]
thymidine 5'-[3-(3,4,6-trideoxy-3-dimethylamino-D-glucopyranosyl) dihydrogen diphosphate]; thymidine 5'-{3-[3,4,6-trideoxy-3-(dimethylamino)-α-D-xylo-hexopyranosyl] dihydrogen diphosphate}

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

C06632 [DBID]

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: 1.593
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.47
ACD/LogD (pH 5.5): -7.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 350.4±5.0 cm3

Click to predict properties on the Chemicalize site


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