ChemSpider 2D Image | DEACETOXYVINZOLIDINE | C46H56ClN5O7

DEACETOXYVINZOLIDINE

  • Molecular FormulaC46H56ClN5O7
  • Average mass826.419 Da
  • Monoisotopic mass825.386841 Da
  • ChemSpider ID138752

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

165659-77-8 [RN]
2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-3a,5a,6,11,12,13a-hexahydro-8-methoxy-6-methyl-2',4'-dioxospiro[1H-indolizino[8,1-c d]carbazole-5(4H),5'-oxazolidin]-9-yl]-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (5S,7R,9S)- [ACD/Index Name]
DEACETOXYVINZOLIDINE
Methyl (13S,15R,17S)-13-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-y ;l]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate [ACD/IUPAC Name]
2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 9-((2β,3β,5α,12β,19α)-3'-(2-chloroethyl)-6,7-didehydro-16-methoxy-1-methyl-2',4'-dioxospiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (3R-(3R*,5S*,7R*,9S*))-
3"-(β-CHLOROETHYL)-2",4";-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE
3''-(β-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine
3''-(β-Chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine
KAR
KAR 2
More...

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

6PBV11IO5E [DBID]
UNII:6PBV11IO5E [DBID]
UNII-6PBV11IO5E [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 224.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 8.98
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 4218.50
ACD/KOC (pH 7.4): 8519.63
Polar Surface Area: 128 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 584.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement