ChemSpider 2D Image | Cycloposine | C33H51NO7

Cycloposine

  • Molecular FormulaC33H51NO7
  • Average mass573.760 Da
  • Monoisotopic mass573.366577 Da
  • ChemSpider ID19958909

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,22S,23R)-17,23-Epoxyveratraman-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22S,23R)-17,23-Epoxyveratrumaman-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
23185-94-6 [RN]
Cycloposine
β-D-Glucopyranoside de (3β,22S,23R)-17,23-époxyvératraman-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3S,3'R,3a'S,6'S,6aS,6bS,7a'R,9R,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3, 2-b]pyridin]-3-yl [ACD/Index Name]
β-D-Glucopyranoside, (3β,23β)-17,23-epoxyveratraman-3-yl
(2R,3R,4S,5S,6R)-2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1241233/

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

5ITA1WU19R [DBID]
UNII:5ITA1WU19R [DBID]
UNII-5ITA1WU19R [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: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 121 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 445.4±5.0 cm3

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