ChemSpider 2D Image | [(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl hydrogen phosphate (non-prefer
red name) | C16H24N5O12P

[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl hydrogen phosphate (non-prefer red name)

  • Molecular FormulaC16H24N5O12P
  • Average mass509.362 Da
  • Monoisotopic mass509.115906 Da
  • ChemSpider ID138229
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl [(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methyl hydrogen phosphate (non-prefer red name) [ACD/IUPAC Name]
[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methylhydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2S,3S,5R)-3-azido-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de [(2R,3S,4S,5R,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
133101-34-5 [RN]
5'-Thymidylic acid, 3'-azido-3'-deoxy-, 6-ester with α-D-glucopyranose
6-Glucopyranosyl 3'-azido-3'-deoxy-5'-thymidinyl phosphate
6-α-D-Glucopyranosyl 3'-azido-3'-deoxy-5'-thymidinyl phosphate
FADTP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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