Found 12 results

Search term: MF = 'C_{47}H_{67}NO_{12}'
ChemSpider 2D Image | 1,3-Dideoxy-4-O-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-O-(16-oxo-16-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}hexadecanoyl)-D-threo-pentitol | C47H67NO12

1,3-Dideoxy-4-O-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-O-(16-oxo-16-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}hexadecanoyl)-D-threo-pentitol

  • Molecular FormulaC47H67NO12
  • Average mass838.034 Da
  • Monoisotopic mass837.466309 Da
  • ChemSpider ID58991858

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Dideoxy-4-O-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-O-(16-oxo-16-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}hexadecanoyl)-D-threo-pentitol [ACD/IUPAC Name]
1,3-Didesoxy-4-O-methyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-O-(16-oxo-16-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}hexadecanoyl)-D-threo-pentitol [German] [ACD/IUPAC Name]
1,3-Didésoxy-4-O-méthyl-1-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5-O-(16-oxo-16-{[(7S)-1,2,3,10-tétraméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]amino}hexadecanoyl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,3-dideoxy-1-[(2S)-3,6-dihydro-6-oxo-2H-pyran-2-yl]-5-O-[1,16-dioxo-16-[[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]amino]hexadecyl]-4-O-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1007.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.0±3.0 kJ/mol
Flash Point: 563.1±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54943.50
ACD/KOC (pH 5.5): 85983.26
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54943.50
ACD/KOC (pH 7.4): 85983.26
Polar Surface Area: 165 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 703.8±5.0 cm3

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