ChemSpider 2D Image | 2-{(2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}ethyl)[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]pro
panoic acid | C41H46N4O16

2-{(2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}ethyl)[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]pro panoic acid

  • Molecular FormulaC41H46N4O16
  • Average mass850.821 Da
  • Monoisotopic mass850.290894 Da
  • ChemSpider ID17246782
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

2-{(2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}ethyl)[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]pro panoic acid [ACD/IUPAC Name]
2-{(2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}ethyl)[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}-3-[(2S,3S,4R,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]pro pansäure [German] [ACD/IUPAC Name]
Acide 2-{(2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}éthyl)[2-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acétyl]amino}-3-[(2S,3S,4R,5S,6R)-3,4,5-triacétoxy-6-(acétoxyméthyl)tétrahydro-2H-pyran- 2-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 207.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 6.79
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 589.9±5.0 cm3

Click to predict properties on the Chemicalize site






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