Found 3 results

Search term: MF = 'C_{27}H_{37}N_{9}O_{15}P_{2}'
ChemSpider 2D Image | [(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-{[(S)-{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl (2R,3 S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanyl hydrogen (S)-phosphate (non-preferred name) | C27H37N9O15P2

[(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-{[(S)-{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl (2R,3 S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanyl hydrogen (S)-phosphate (non-preferred name)

  • Molecular FormulaC27H37N9O15P2
  • Average mass789.581 Da
  • Monoisotopic mass789.188416 Da
  • ChemSpider ID61710990

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,5R)-3-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-fu ranyl]methyl (2R,3S,5R)-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanyl hydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-3-[(Hydroxy{[(2R,3S,5R)-3-hydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-fu ranyl]methyl-(2R,3S,5R)-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanylhydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-{[(S)-{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl (2R,3 S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanyl hydrogen (S)-phosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-{[(S)-{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl-(2R,3 S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-methyltetrahydro-3-furanylhydrogen(S)-phosphat (non-preferred name) [German] [ACD/IUPAC Name]
Hydrogéno(S)-phosphate de [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-{[(S)-{[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}tétrahy dro-2-furanyl]méthyle et de (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-méthyltétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,5R)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosphoryl)oxy]-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrim idinyl)tétrahydro-2-furanyl]méthyle et de (2R,3S,5R)-5-(4-imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-méthyltétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.798
Molar Refractivity: 168.5±0.5 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -7.75
ACD/LogD (pH 5.5): -10.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 106.1±7.0 dyne/cm
Molar Volume: 395.0±7.0 cm3

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