Found 79 results

Search term: MF = 'C_{32}H_{49}NO_{4}'
ChemSpider 2D Image | (3beta,8alpha,9beta,13alpha,16beta,17beta,25R)-26-Acetamido-16-methylfurosta-5,20(22)-dien-3-yl acetate | C32H49NO4

(3β,8α,9β,13α,16β,17β,25R)-26-Acetamido-16-methylfurosta-5,20(22)-dien-3-yl acetate

  • Molecular FormulaC32H49NO4
  • Average mass511.736 Da
  • Monoisotopic mass511.366150 Da
  • ChemSpider ID10045968

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,8α,9β,13α,16β,17β,25R)-26-Acetamido-16-methylfurosta-5,20(22)-dien-3-yl acetate [ACD/IUPAC Name]
(3β,8α,9β,13α,16β,17β,25R)-26-Acetamido-16-methylfurosta-5,20(22)-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[(3β,8α,9β,13α,16β,17β,25R)-3-(acetyloxy)-16-methylfurosta-5,20(22)-dien-26-yl]- [ACD/Index Name]
Acétate de (3β,8α,9β,13α,16β,17β,25R)-26-acétamido-16-méthylfurosta-5,20(22)-dién-3-yle [French] [ACD/IUPAC Name]

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

ZINC04016176 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89446.30
ACD/KOC (pH 5.5): 121872.98
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89446.41
ACD/KOC (pH 7.4): 121873.13
Polar Surface Area: 65 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 461.8±5.0 cm3

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