ChemSpider 2D Image | (2S,9S)-16-{(R)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-6-(2-am ino-3,4,5,6-tetrahydro-4-pyrimidinyl)-9-[(1S)-1-{[9-(N-hydroxycarbamimidamido)nonanoyl]oxy}-2-methylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred nam e) | C48H82N14O19

(2S,9S)-16-{(R)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-6-(2-am ino-3,4,5,6-tetrahydro-4-pyrimidinyl)-9-[(1S)-1-{[9-(N-hydroxycarbamimidamido)nonanoyl]oxy}-2-methylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred nam e)

  • Molecular FormulaC48H82N14O19
  • Average mass1159.247 Da
  • Monoisotopic mass1158.588013 Da
  • ChemSpider ID78445693

  • defined stereocentres - 12 of 15 defined stereocentres

More details:

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

(2S,9S)-16-{(R)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-6-(2-am ino-3,4,5,6-tetrahydro-4-pyrimidinyl)-9-[(1S)-1-{[9-(N-hydroxycarbamimidamido)nonanoyl]oxy}-2-methylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecan-1,17-disäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,9S)-16-{(R)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-6-(2-am ino-3,4,5,6-tetrahydro-4-pyrimidinyl)-9-[(1S)-1-{[9-(N-hydroxycarbamimidamido)nonanoyl]oxy}-2-methylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred nam e) [ACD/IUPAC Name]
Acide (2S,9S)-16-{(R)-{[(2S,3R,4R,5R)-5-(aminométhyl)-4-hydroxy-3-méthoxytétrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}-6 -(2-amino-3,4,5,6-tétrahydro-4-pyrimidinyl)-9-[(1S)-1-{[9-(N-hydroxycarbamimidamido)nonanoyl]oxy}-2-méthylpropyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadécane-1,17-dioïque (non-preferred name) [French] [ACD/IUPAC Name]
muraymycin A2

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: 1.674
Molar Refractivity: 271.5±0.5 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 509 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 723.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement