ChemSpider 2D Image | (3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl 4-{[2-(4-azido-3-iodophenyl)ethyl]amino}-4-oxobutanoate | C32H43IN4O8

(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl 4-{[2-(4-azido-3-iodophenyl)ethyl]amino}-4-oxobutanoate

  • Molecular FormulaC32H43IN4O8
  • Average mass738.610 Da
  • Monoisotopic mass738.212524 Da
  • ChemSpider ID143708

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl 4-{[2-(4-azido-3-iodophenyl)ethyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl-4-{[2-(4-azido-3-iodphenyl)ethyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{[2-(4-Azido-3-iodophényl)éthyl]amino}-4-oxobutanoate de (3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(4-azido-3-iodophenyl)ethyl]amino]-4-oxo-, (3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-5-yl est er [ACD/Index Name]
(3r,4as,5r,6r,6ar,10r,10as,10br)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1h-benzo[f]chromen-5-yl 4-{[2-(4-azido-3-iodophenyl)ethyl]amino}-4-oxobutanoate
(3R,4AS,5R,6R,6AR,10R,10AS,10BR)-3-ETHENYL-6,10,10B-TRIHYDROXY-3,4A,7,7,10A-PENTAMETHYL-1-OXO-DODECAHYDRO-1H-NAPHTHO[2,1-B]PYRAN-5-YL 3-{[2-(4-AZIDO-3-IODOPHENYL)ETHYL]CARBAMOYL}PROPANOATE
(3R,4AS,5R,6R,6AR,10R,10AS,10BR)-3-ETHENYL-6,10,10B-TRIHYDROXY-3,4A,7,7,10A-PENTAMETHYL-1-OXO-HEXAHYDRO-2H-NAPHTHO[2,1-B]PYRAN-5-YL 3-{[2-(4-AZIDO-3-IODOPHENYL)ETHYL]CARBAMOYL}PROPANOATE
111399-48-5 [RN]
3-Iodo-4-azidophenethylamido-7-O-succinyldeacetylforskolin
Butanoic acid, 4-((2-(4-azido-3-iodophenyl)ethyl)amino)-4-oxo-, 3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-5-yl ester, (3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα))-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7206.33
ACD/KOC (pH 5.5): 20088.24
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7203.75
ACD/KOC (pH 7.4): 20081.07
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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