ChemSpider 2D Image | tunicamycin B1 | C38H62N4O16

tunicamycin B1

  • Molecular FormulaC38H62N4O16
  • Average mass830.916 Da
  • Monoisotopic mass830.416077 Da
  • ChemSpider ID27471420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 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-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydrox ytetrahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-2-pentadecenamid [German] [ACD/IUPAC Name]
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydrox ytetrahydro-2-furanyl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]-2-pentadecenamide [ACD/IUPAC Name]
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-Acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydrox ytétrahydro-2-furanyl]-2-hydroxyéthyl}-4,5-dihydroxytétrahydro-2H-pyran-3-yl]-2-pentadécénamide [French] [ACD/IUPAC Name]
tunicamycin B1
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox
(2E)-N-[(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-{(2R)-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxyethyl}-4,5-dihydroxytetrahydro-2H-pyran-3-yl]pentadec-2-enamide(5'R)-5'-[2-acetamido-2-deoxy-α-D-glucopyranosyl-(1<->1)-2,6-dideoxy-2-(pentadec-2-enamido)-β-D-galactopyranos-6-yl]uridine
lactopyranos-6-yl]uridine
tunicamycin IV

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

CHEBI:64248 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 203.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.97
ACD/KOC (pH 5.5): 180.36
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.87
ACD/KOC (pH 7.4): 178.59
Polar Surface Area: 306 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 584.8±5.0 cm3

Click to predict properties on the Chemicalize site


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