Found 7 results

Search term: MF = 'C_{128}H_{220}N_{2}O_{53}S_{2}'
ChemSpider 2D Image | 1-({[(2S,3S,4S,6S)-6-(7-{(2S,6R,8S,10S)-8-[(8E,24E,31E,35E,39E,41E,45E)-50-[(2S,3R,4R,6R)-6-({(2E,4E,8E,14E,18E)-7,11,13,16,17,21-Hexahydroxy-22-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]-10-me thyl-2,4,8,14,18-docosapentaen-1-yl}carbamoyl)-3,4-dihydroxy-3-methyltetrahydro-2H-pyran-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-15-(sulfooxy)- 8,24,31,35,39,41,45-pentacontaheptaen-1-yl]- | C128H220N2O53S2

1-({[(2S,3S,4S,6S)-6-(7-{(2S,6R,8S,10S)-8-[(8E,24E,31E,35E,39E,41E,45E)-50-[(2S,3R,4R,6R)-6-({(2E,4E,8E,14E,18E)-7,11,13,16,17,21-Hexahydroxy-22-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]-10-me thyl-2,4,8,14,18-docosapentaen-1-yl}carbamoyl)-3,4-dihydroxy-3-methyltetrahydro-2H-pyran-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-15-(sulfooxy)- 8,24,31,35,39,41,45-pentacontaheptaen-1-yl]-

  • Molecular FormulaC128H220N2O53S2
  • Average mass2699.228 Da
  • Monoisotopic mass2697.402344 Da
  • ChemSpider ID29213418

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 52 defined stereocentres

More details:

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

1-({[(2S,3S,4S,6S)-6-(7-{(2S,6R,8S,10S)-8-[(8E,24E,31E,35E,39E,41E,45E)-50-[(2S,3R,4R,6R)-6-({(2E,4E,8E,14E,18E)-7,11,13,16,17,21-Hexahydroxy-22-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]-10-me thyl-2,4,8,14,18-docosapentaen-1-yl}carbamoyl)-3,4-dihydroxy-3-methyltetrahydro-2H-pyran-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-15-(sulfooxy)- 8,24,31,35,39,41,45-pentacontaheptaen-1-yl]- [ACD/IUPAC Name]
1-({[(2S,3S,4S,6S)-6-(7-{(2S,6R,8S,10S)-8-[(8E,24E,31E,35E,39E,41E,45E)-50-[(2S,3R,4R,6R)-6-({(2E,4E,8E,14E,18E)-7,11,13,16,17,21-Hexahydroxy-22-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]-10-me thyl-2,4,8,14,18-docosapentaen-1-yl}carbamoyl)-3,4-dihydroxy-3-methyltetrahydro-2H-pyran-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadecahydroxy-12,26,35,42-tetramethyl-15-(sulfooxy)- 8,24,31,35,39,41,45-pentacontaheptaen-1-yl]- [German] [ACD/IUPAC Name]
Hydrogénosulfate de 1-({[(2S,3S,4S,6S)-6-(7-{(2S,6R,8S,10S)-8-[(8E,24E,31E,35E,39E,41E,45E)-50-[(2S,3R,4R,6R)-6-({(2E,4E,8E,14E,18E)-7,11,13,16,17,21-hexahydroxy-22-[(2R,4R)-4-hydroxy-6-oxotétrahydro- 2H-pyran-2-yl]-10-méthyl-2,4,8,14,18-docosapentaén-1-yl}carbamoyl)-3,4-dihydroxy-3-méthyltétrahydro-2H-pyran-2-yl]-4,6,7,10,13,14,18,20,21,22,23,28,30,33,37,43,47,49-octadécahydroxy-12,26,35,42-tétram éthyl-15-(sulfooxy)-8,24,31,35,39,41,45-pent [French] [ACD/IUPAC Name]
zooxanthellamide B

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 679.3±0.4 cm3
#H bond acceptors: 55
#H bond donors: 41
#Freely Rotating Bonds: 89
#Rule of 5 Violations: 3
ACD/LogP: -13.44
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: 1014 Å2
Polarizability: 269.3±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 1899.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement