ChemSpider 2D Image | (3alpha,5alpha,8xi,13xi,17beta)-20-Hydroxy-6-oxocevan-3-yl D-glucopyranoside | C33H53NO8

(3α,5α,8ξ,13ξ,17β)-20-Hydroxy-6-oxocevan-3-yl D-glucopyranoside

  • Molecular FormulaC33H53NO8
  • Average mass591.776 Da
  • Monoisotopic mass591.377136 Da
  • ChemSpider ID17459992

  • defined stereocentres - 14 of 17 defined stereocentres

More details:

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

(3α,5α,8ξ,13ξ,17β)-20-Hydroxy-6-oxocevan-3-yl D-glucopyranoside [ACD/IUPAC Name]
(3α,5α,8ξ,13ξ,17β)-20-Hydroxy-6-oxocevan-3-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
Cevan-6-one, 3-(D-glucopyranosyloxy)-20-hydroxy-, (3α,5α,8ξ,13ξ,17β)- [ACD/Index Name]
D-Glucopyranoside de (3α,5α,8ξ,13ξ,17β)-20-hydroxy-6-oxocévan-3-yle [French] [ACD/IUPAC Name]
(1R,6S,9S,10S,11R,14S,18S,20R,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
(3R,4aS,6bS,8aR,9S,9aS,12S,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((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]
(3R,4aS,6bS,8aR,9S,9aS,12S,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((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(15bH)-one

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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