ChemSpider 2D Image | pavoninin-3 | C37H61NO9

pavoninin-3

  • Molecular FormulaC37H61NO9
  • Average mass663.881 Da
  • Monoisotopic mass663.434631 Da
  • ChemSpider ID32700638
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(3α,15α,17α,25R)-15-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholest-5-en-26-yl acetate [ACD/IUPAC Name]
(3α,15α,17α,25R)-15-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholest-5-en-26-yl-acetat [German] [ACD/IUPAC Name]
94425-99-7 [RN]
Acétate de (3α,15α,17α,25R)-15-[(2-acétamido-2-désoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholest-5-én-26-yle [French] [ACD/IUPAC Name]
pavoninin-3
β-D-Glucopyranoside, (3α,15α,17α,25R)-26-(acetyloxy)-3-hydroxycholest-5-en-15-yl 2-(acetylamino)-2-deoxy- [ACD/Index Name]

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

OWE777GJ3L [DBID]
UNII:OWE777GJ3L [DBID]
UNII-OWE777GJ3L [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: 799.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 437.5±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5979.87
ACD/KOC (pH 5.5): 17577.13
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5979.84
ACD/KOC (pH 7.4): 17577.05
Polar Surface Area: 155 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 547.5±5.0 cm3

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