Found 26 results

Search term: MF = 'C_{52}H_{83}N_{3}O_{18}P_{2}'
ChemSpider 2D Image | {(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-11,19-dioxo-3,5,7,10,25-pentaoxa-4,6-diphosphabicyclo[16.6. 2]hexacos-15-en-9-yl}methyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C52H83N3O18P2

{(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-11,19-dioxo-3,5,7,10,25-pentaoxa-4,6-diphosphabicyclo[16.6. 2]hexacos-15-en-9-yl}methyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC52H83N3O18P2
  • Average mass1100.172 Da
  • Monoisotopic mass1099.514648 Da
  • ChemSpider ID117211318

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de {(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octén-1-yl]-11,19-dioxo-4,6-dioxydo-3,5,7,10 ,25-pentaoxa-4,6-diphosphabicyclo[16.6.2]hexacos-15-én-9-yl}méthyle [French] [ACD/IUPAC Name]
{(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-11,19-dioxo-3,5,7,10,25-pentaoxa-4,6-diphosphabicyclo[16.6. 2]hexacos-15-en-9-yl}methyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
{(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-11,19-dioxo-3,5,7,10,25-pentaoxa-4,6-diphosphabicyclo[16.6. 2]hexacos-15-en-9-yl}methyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, [(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-11,19-dioxo-3,5,7,10,25-pentao xa-4,6-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl ester, (8Z,11Z,14Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1087.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.6±6.0 kJ/mol
Flash Point: 611.7±37.1 °C
Index of Refraction: 1.571
Molar Refractivity: 275.4±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 340 Å2
Polarizability: 109.2±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 837.9±7.0 cm3

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