ChemSpider 2D Image | Edpetiline | C33H53NO8

Edpetiline

  • Molecular FormulaC33H53NO8
  • Average mass591.776 Da
  • Monoisotopic mass591.377136 Da
  • ChemSpider ID34990494

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5α)-20-Hydroxy-6-oxocevan-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α)-20-Hydroxy-6-oxocevan-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
32685-93-1 [RN]
Cevan-6-one, 3-(β-D-glucopyranosyloxy)-20-hydroxy-, (3β,5α)- [ACD/Index Name]
Edpetiline
β-D-Glucopyranoside de (3β,5α)-20-hydroxy-6-oxocévan-3-yle [French] [ACD/IUPAC Name]
(3S,4aS,6aS,6bS,8aS,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(1H)-one
SipeiMine-3?-D-glucoside
Sipeimine-3β-D-glucoside

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

F85B5IO5AT [DBID]
UNII:F85B5IO5AT [DBID]
UNII-F85B5IO5AT [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.6±6.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 140 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

Click to predict properties on the Chemicalize site


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