ChemSpider 2D Image | (2R,4S,5S,6S)-4-(Dimethylamino)-5-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,4S,5S,6S)-4-(Dimethylamino)-5-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 ID30791355

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5S,6S)-4-(Dimethylamino)-5-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,4S,5S,6S)-4-(Dimethylamino)-5-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]
Dihydrogénodiphosphate de (2R,4S,5S,6S)-4-(diméthylamino)-5-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-2,3,6-trideoxy-3-(dimethylamino)-β-L-lyxo-hexopyranose
dTDP-L-rhodosamine
dTDP-β-L-rhodosamine
thymidine 5'-(β-L-3-rhodosaminyl diphosphate)
thymidine 5'-{3-[2,3,6-trideoxy-3-(dimethylamino)-β-L-lyxo-hexopyranosyl] dihydrogen diphosphate}

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: -3.61
ACD/LogD (pH 5.5): -7.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.77
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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