Found 1 result

Search term: 78445166 (Found by CSID)
ChemSpider 2D Image | (7R)-1-{[(1R,2R,3S,4R,5R)-5-Acetamido-3,4-diacetoxy-2-(acetoxymethyl)-2-hydroxycyclopentyl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octanetriyl triacetate (non-preferred name) | C56H89NO15

(7R)-1-{[(1R,2R,3S,4R,5R)-5-Acetamido-3,4-diacetoxy-2-(acetoxymethyl)-2-hydroxycyclopentyl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octanetriyl triacetate (non-preferred name)

  • Molecular FormulaC56H89NO15
  • Average mass1016.304 Da
  • Monoisotopic mass1015.623230 Da
  • ChemSpider ID78445166

  • defined stereocentres - 15 of 19 defined stereocentres

More details:

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

(7R)-1-{[(1R,2R,3S,4R,5R)-5-Acetamido-3,4-diacetoxy-2-(acetoxymethyl)-2-hydroxycyclopentyl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octanetriyl triacetate (non-preferred name) [ACD/IUPAC Name]
(7R)-1-{[(1R,2R,3S,4R,5R)-5-Acetamido-3,4-diacetoxy-2-(acetoxymethyl)-2-hydroxycyclopentyl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethylicosahydro-1H-cyclopenta [a]chrysen-3-yl]-2,3,4-octantriyl-triacetat (non-preferred name) [German] [ACD/IUPAC Name]
Acetamide, N-[(1R,2R,3R,4S,5R)-4,5-bis(acetyloxy)-3-[(acetyloxy)methyl]-3-hydroxy-2-[[(7R)-2,3,4-tris(acetyloxy)-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-eicosahydro-5a,5b,8,8,10,11a,13b-heptam ethyl-1H-cyclopenta[a]chrysen-3-yl]octyl]oxy]cyclopentyl]- [ACD/Index Name]
Triacétate de (7R)-1-{[(1R,2R,3S,4R,5R)-5-acétamido-3,4-diacétoxy-2-(acétoxyméthyl)-2-hydroxycyclopentyl]oxy}-7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptaméthylicosahydro -1H-cyclopenta[a]chrysén-3-yl]-2,3,4-octanetriyle (non-preferred name) [French] [ACD/IUPAC 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: 900.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.7±6.0 kJ/mol
Flash Point: 498.5±34.3 °C
Index of Refraction: 1.536
Molar Refractivity: 267.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 12.14
ACD/LogD (pH 5.5): 10.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 216 Å2
Polarizability: 105.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 856.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement