Found 26 results

Search term: MF = 'C_{52}H_{83}N_{3}O_{18}P_{2}'
ChemSpider 2D Image | (1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-12,22-dioxo-3,5,7,11,26-pentaoxa-4,6-diphosphabicyclo [17.6.2]heptacos-16-en-9-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C52H83N3O18P2

(1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-12,22-dioxo-3,5,7,11,26-pentaoxa-4,6-diphosphabicyclo [17.6.2]heptacos-16-en-9-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC52H83N3O18P2
  • Average mass1100.172 Da
  • Monoisotopic mass1099.514648 Da
  • ChemSpider ID117211321

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-12,22-dioxo-3,5,7,11,26-pentaoxa-4,6-diphosphabicyclo [17.6.2]heptacos-16-en-9-yl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-12,22-dioxo-3,5,7,11,26-pentaoxa-4,6-diphosphabicyclo [17.6.2]heptacos-16-en-9-yl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octén-1-yl]-12,22-dioxo-4,6-dioxydo-3, 5,7,11,26-pentaoxa-4,6-diphosphabicyclo[17.6.2]heptacos-16-én-9-yle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxy-1-octen-1-yl]-4,6-dioxido-12,22-dioxo-3,5,7,11,26- pentaoxa-4,6-diphosphabicyclo[17.6.2]heptacos-16-en-9-yl 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: 1104.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.5±6.0 kJ/mol
Flash Point: 621.8±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: 24
#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

Click to predict properties on the Chemicalize site


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