ChemSpider 2D Image | 2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-(2-oxo-3-azepanyl)-3,4-dihydro-2H-pyran-6-carboxamide | C23H31N5O12

2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-(2-oxo-3-azepanyl)-3,4-dihydro-2H-pyran-6-carboxamide

  • Molecular FormulaC23H31N5O12
  • Average mass569.518 Da
  • Monoisotopic mass569.196899 Da
  • ChemSpider ID432693

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-(2-oxo-3-azepanyl)-3,4-dihydro-2H-pyran-6-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-(2-oxo-3-azepanyl)-3,4-dihydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-méthoxytétrahydro-2-furanyl]-2-oxoéthoxy}-3,4-dihydroxy-N-(2-oxo-3-azépanyl)-3,4-dihydro-2H-pyrane-6-carboxamid e [French] [ACD/IUPAC Name]
6-{Carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (2-oxo-azepan-3-yl)-amide

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

AIDS130833 [DBID]
AIDS-130833 [DBID]
NSC614610 [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: 1.655
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

Click to predict properties on the Chemicalize site


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