Found 1 result

Search term: 78438077 (Found by CSID)
ChemSpider 2D Image | (2S,3R,4R,7R)-2,3,4-Triacetoxy-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octyl propionate (non-preferred name) | C44H72O8

(2S,3R,4R,7R)-2,3,4-Triacetoxy-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octyl propionate (non-preferred name)

  • Molecular FormulaC44H72O8
  • Average mass729.038 Da
  • Monoisotopic mass728.522705 Da
  • ChemSpider ID78438077

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,3R,4R,7R)-2,3,4-Triacetoxy-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octyl propionate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4R,7R)-2,3,4-Triacetoxy-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octylpropionat (non-preferred name) [German] [ACD/IUPAC Name]
1,2,3,4-Octanetetrol, 7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-1H-cyclopenta[a]chrysen-3-yl]-, 2,3,4-triacetate 1-propanoate, (2S,3R,4R,7R)- [ACD/Index Name]
Propionate de (2S,3R,4R,7R)-2,3,4-triacétoxy-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexaméthylicosahydro-1H-cyclopenta[a]chrysén-3-yl]octyle (non-preferred name) [French] [ACD/IUPAC Name]
(32R,33R,34S)-35-O-propionyl bacteriohopanetetrol acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 680.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 266.8±25.7 °C
Index of Refraction: 1.497
Molar Refractivity: 202.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 12.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 692.3±3.0 cm3

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