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 (3-azido-5-hydroxy-4-iodophenoxy)acetate | C28H37IN3O9

(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 (3-azido-5-hydroxy-4-iodophenoxy)acetate

  • Molecular FormulaC28H37IN3O9
  • Average mass685.505 Da
  • Monoisotopic mass685.149597 Da
  • ChemSpider ID2301472

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3-Azido-5-hydroxy-4-iodophénoxy)acétate 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]
(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 (3-azido-5-hydroxy-4-iodophenoxy)acetate [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-(3-azido-5-hydroxy-4-iodphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(3-azido-5-hydroxy-4-iodophenoxy)-, (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 ester [ACD/Index Name]
(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 2-(3-AZIDO-5-HYDROXY-4-IODOPHENOXY)ACETATE
(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 2-(3-AZIDO-5-HYDROXY-4-IODOPHENOXY)ACETATE
126869-27-0 [RN]
7-Forskolinyl-2-(3-azido-5-hydroxy-4-iodophenoxy)acetate
FAHIA

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: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8386.56
ACD/KOC (pH 5.5): 22240.60
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 2945.00
ACD/KOC (pH 7.4): 7809.94
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

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