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-2-hydroxy-3-iodobenzoyl)amino]ethyl}amino)-4-oxobutanoate | C33H45IN5O10

(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-2-hydroxy-3-iodobenzoyl)amino]ethyl}amino)-4-oxobutanoate

  • Molecular FormulaC33H45IN5O10
  • Average mass797.634 Da
  • Monoisotopic mass797.213257 Da
  • ChemSpider ID2300050
  • 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-2-hydroxy-3-iodobenzoyl)amino]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-2-hydroxy-3-iodbenzoyl)amino]ethyl}amino)-4-oxobutanoat [German] [ACD/IUPAC Name]
4-({2-[(4-Azido-2-hydroxy-3-iodobenzoyl)amino]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-2-hydroxy-3-iodobenzoyl)amino]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 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 3-({2-[(4-AZIDO-2-HYDROXY-3-IODOPHENYL)FORMAMIDO]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-2-HYDROXY-3-IODOPHENYL)FORMAMIDO]ETHYL}CARBAMOYL)PROPANOATE
121878-20-4 [RN]
3'-Iodo-4'-azidosalicylamidoethylamido-7-succinyldeacetylforskolin
Butanoic acid, 4-((2-((4-azido-2-hydroxy-3-iodobenzoyl)amino)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))-
Iasa-forskolin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3468.46
ACD/KOC (pH 5.5): 10665.02
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 136.10
ACD/KOC (pH 7.4): 418.51
Polar Surface Area: 204 Å2
Polarizability:
Surface Tension:
Molar Volume:

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