ChemSpider 2D Image | (3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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 | C33H44IN5O10

(3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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 FormulaC33H44IN5O10
  • Average mass797.634 Da
  • Monoisotopic mass797.213257 Da
  • ChemSpider ID68026699

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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]
(3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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 (3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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-, (3S,4aR,5S,6S,6aS,10R,10aR,10bS)-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]

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: 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): 3468.48
ACD/KOC (pH 5.5): 10665.09
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 136.11
ACD/KOC (pH 7.4): 418.51
Polar Surface Area: 204 Å2
Polarizability:
Surface Tension:
Molar Volume:

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