ChemSpider 2D Image | (3beta,20E)-20-[(2-Propyn-1-yloxy)imino]pregn-5-en-3-yl 4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hex-2-enopyranoside | C34H47NO7

(3β,20E)-20-[(2-Propyn-1-yloxy)imino]pregn-5-en-3-yl 4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hex-2-enopyranoside

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID31133843

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,20E)-20-[(2-Propin-1-yloxy)imino]pregn-5-en-3-yl-4,6-di-O-acetyl-2,3-didesoxy-D-erythro-hex-2-enopyranosid [German] [ACD/IUPAC Name]
(3β,20E)-20-[(2-Propyn-1-yloxy)imino]pregn-5-en-3-yl 4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hex-2-enopyranoside [ACD/IUPAC Name]
4,6-Di-O-acétyl-2,3-didésoxy-D-érythro-hex-2-énopyranoside de (3β,20E)-20-[(2-propyn-1-yloxy)imino]prégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[(4,6-di-O-acetyl-2,3-dideoxy-D-erythro-hex-2-enopyranosyl)oxy]-, O-2-propyn-1-yloxime, (3β,20E)- [ACD/Index 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: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 174.0±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 158.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48317.07
ACD/KOC (pH 5.5): 78426.28
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48317.07
ACD/KOC (pH 7.4): 78426.28
Polar Surface Area: 93 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 473.6±7.0 cm3

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