ChemSpider 2D Image | (2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3R,4R,5R)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic aci d | C18H22N4O13

(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3R,4R,5R)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic aci d

  • Molecular FormulaC18H22N4O13
  • Average mass502.386 Da
  • Monoisotopic mass502.118347 Da
  • ChemSpider ID9584361

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3R,4R,5R)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carbonsäure (n on-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3R,4R,5R)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic aci d [ACD/IUPAC Name]
Acide (2S,3S,4S)-2-{(1R)-2-amino-1-[(2S,3R,4R,5R)-4-(carbamoyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-méthoxytétrahydro-2-furanyl]-2-oxoéthoxy}-3,4-dihydroxy-3,4-dihydro-2H-pyrane-6-carboxy lique [French] [ACD/IUPAC Name]
A-503083 F

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 100.5±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

Click to predict properties on the Chemicalize site


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