Found 3 results

Search term: MF = 'C_{54}H_{82}Na_{2}O_{28}S_{2}'
ChemSpider 2D Image | Disodium 3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentamet hyl-3-(4-methyl-4-penten-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl]oxy}-5-[(trioxidan-3-id-1-ylsulfanyl)oxy]tetrahydro-2H-pyra n-3-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl | C54H82Na2O28S2

Disodium 3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentamet hyl-3-(4-methyl-4-penten-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl]oxy}-5-[(trioxidan-3-id-1-ylsulfanyl)oxy]tetrahydro-2H-pyra n-3-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl

  • Molecular FormulaC54H82Na2O28S2
  • Average mass1289.322 Da
  • Monoisotopic mass1288.422974 Da
  • ChemSpider ID28285646

  • Charge - Charge

    defined stereocentres - 13 of 27 defined stereocentres

More details:

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3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-Dihydroxy-6-(hydroxyméthyl)-4-méthoxytétrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentaméthyl-3-(4- méthyl-4-pentén-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tétradécahydro-3H-naphto[2',1':4,5]indéno[1,7a-c]furan-9-yl]oxy}-5-[(trioxydan-3-id-1-ylsulfanyl)oxy]tétrahydro-2H-pyran-3-yl}oxy )-2-méthyltétrahydro-2H-pyran-3-yl]oxy}-3,5- [French] [ACD/IUPAC Name]
Dinatrium-3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentame thyl-3-(4-methyl-4-penten-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl]oxy}-5-[(trioxidan-3-id-1-ylsulfanyl)oxy]tetrahydro-2H-pyr an-3-yl}oxy)-2-methyltetrahydro-2H-pyran-3-y [German] [ACD/IUPAC Name]
Disodium 3-({[(3R,4S,5R)-4-{[(3R,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-6-{[(3S,5R)-4,5-dihydroxy-6-({(3R,5R)-4-hydroxy-2-{[(3S,5aS,11aR,11bS)-3,5a,8,8,11a-pentamet hyl-3-(4-methyl-4-penten-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl]oxy}-5-[(trioxidan-3-id-1-ylsulfanyl)oxy]tetrahydro-2H-pyra n-3-yl}oxy)-2-methyltetrahydro-2H-pyran-3-yl [ACD/IUPAC Name]
liouvilloside A1

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 28
#H bond donors: 8
#Freely Rotating Bonds: 35
#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: 413 Å2
Polarizability:
Surface Tension:
Molar Volume:

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