ChemSpider 2D Image | (2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetr ahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-5-methyl-2-hexenamide | C30H48N4O16

(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetr ahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-5-methyl-2-hexenamide

  • Molecular FormulaC30H48N4O16
  • Average mass720.719 Da
  • Monoisotopic mass720.306519 Da
  • ChemSpider ID4952928

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 15 defined stereocentres

More details:

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

(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetr ahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-5-methyl-2-hexenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetr ahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-5-methyl-2-hexenamide [ACD/IUPAC Name]
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(3S,4S,5R,6S)-3-Acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-{(2S)-2-[(2R,3S,4R,5R)-5-(2,4-dioxotétrahydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétr ahydro-2-furanyl]-2-hydroxyéthyl}-4,5-dihydroxytétrahydro-2H-pyran-3-yl]-5-méthyl-2-hexénamide [French] [ACD/IUPAC Name]
56833-74-0 [RN]
streptovirudin

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: 1.638
Molar Refractivity: 166.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 464.2±5.0 cm3

Click to predict properties on the Chemicalize site


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