ChemSpider 2D Image | Pavoninin 4 | C37H63NO9

Pavoninin 4

  • Molecular FormulaC37H63NO9
  • Average mass665.897 Da
  • Monoisotopic mass665.450256 Da
  • ChemSpider ID9753125
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3α,5α,15α,25R)-15-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholestan-27-yl acetate [ACD/IUPAC Name]
(3α,5α,15α,25R)-15-[(2-Acetamido-2-desoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholestan-27-yl-acetat [German] [ACD/IUPAC Name]
94359-66-7 [RN]
Acétate de (3α,5α,15α,25R)-15-[(2-acétamido-2-désoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholestan-27-yle [French] [ACD/IUPAC Name]
Pavoninin 4
pavoninin-4
β-D-Glucopyranoside, (3α,5α,15α,25R)-26-(acetyloxy)-3-hydroxycholestan-15-yl 2-(acetylamino)-2-deoxy- [ACD/Index Name]

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

YIG180HV2J [DBID]
UNII:YIG180HV2J [DBID]
UNII-YIG180HV2J [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: 789.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 431.4±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 178.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6611.16
ACD/KOC (pH 5.5): 18886.26
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6611.13
ACD/KOC (pH 7.4): 18886.18
Polar Surface Area: 155 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 554.9±5.0 cm3

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