ChemSpider 2D Image | (2R)-2,3-Bis(palmitoyloxy)propyl (4R,5R,7R,10S,13R,18S)-5-[(1R,2R)-1-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydroxypropyl]-13-carbamoyl-4-for myl-7,10,18-trimethyl-2,8,11,16-tetraoxo-6-oxa-3,9,12,17-tetraazanonadecan-19-oate (non-preferred name) | C65H116N6O21

(2R)-2,3-Bis(palmitoyloxy)propyl (4R,5R,7R,10S,13R,18S)-5-[(1R,2R)-1-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydroxypropyl]-13-carbamoyl-4-for myl-7,10,18-trimethyl-2,8,11,16-tetraoxo-6-oxa-3,9,12,17-tetraazanonadecan-19-oate (non-preferred name)

  • Molecular FormulaC65H116N6O21
  • Average mass1317.644 Da
  • Monoisotopic mass1316.819336 Da
  • ChemSpider ID64854149

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2R)-2,3-Bis(palmitoyloxy)propyl (4R,5R,7R,10S,13R,18S)-5-[(1R,2R)-1-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydroxypropyl]-13-carbamoyl-4-for myl-7,10,18-trimethyl-2,8,11,16-tetraoxo-6-oxa-3,9,12,17-tetraazanonadecan-19-oate (non-preferred name) [ACD/IUPAC Name]
(2R)-2,3-Bis(palmitoyloxy)propyl-(4R,5R,7R,10S,13R,18S)-5-[(1R,2R)-1-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,3-dihydroxypropyl]-13-carbamoyl-4-for myl-7,10,18-trimethyl-2,8,11,16-tetraoxo-6-oxa-3,9,12,17-tetraazanonadecan-19-oat (non-preferred name) [German] [ACD/IUPAC Name]
(4R,5R,7R,10S,13R,18S)-5-[(1R,2R)-1-{[(2S,3R,4R,5S,6R)-3-Acétamido-4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2,3-dihydroxypropyl]-13-carbamoyl-4-formyl-7,10,18-triméthyl-2,8,11,16-t étraoxo-6-oxa-3,9,12,17-tétraazanonadécan-19-oate de (2R)-2,3-bis(palmitoyloxy)propyle (non-preferred name) [French] [ACD/IUPAC Name]
130114-83-9 [RN]
D-Glucose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-3-O-[(1R,4S,7R,12S,16R)-7-(aminocarbonyl)-1,4,12-trimethyl-2,5,10,13,19-pentaoxo-16-[(1-oxohexadecyl)oxy]-14,18-dioxa-3,6 ,11-triazatetratriacont-1-yl]-2-deoxy- [ACD/Index Name]

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

6PHSP9EORV [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1345.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 228.6±6.0 kJ/mol
Flash Point: 767.7±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 342.1±0.4 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 4
ACD/LogP: 12.16
ACD/LogD (pH 5.5): 9.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6310802.50
ACD/LogD (pH 7.4): 9.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6310788.50
Polar Surface Area: 413 Å2
Polarizability: 135.6±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 1095.9±5.0 cm3

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