ChemSpider 2D Image | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-({[2-({3-[4-hydroxy-3-(~125~I)iodophenyl]propanoyl}amino)ethyl]carbamoyl}oxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5 -yl acetate | C34H47IN2O10

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-({[2-({3-[4-hydroxy-3-(125I)iodophenyl]propanoyl}amino)ethyl]carbamoyl}oxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5 -yl acetate

  • Molecular FormulaC34H47IN2O10
  • Average mass768.649 Da
  • Monoisotopic mass768.227722 Da
  • ChemSpider ID2339344

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-({[2-({3-[4-hydroxy-3-(125I)iodophenyl]propanoyl}amino)ethyl]carbamoyl}oxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5 -yl acetate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-({[2-({3-[4-hydroxy-3-(125I)iodphenyl]propanoyl}amino)ethyl]carbamoyl}oxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5- yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-dihydroxy-6-({[2-({3-[4-hydroxy-3-(125I)iodophényl]propanoyl}amino)éthyl]carbamoyl}oxy)-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[ f]chromén-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[3-[4-hydroxy-3-(iodo-125I)phenyl]-1-oxopropyl]amino]ethyl]-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo -1H-naphtho[2,1-b]pyran-6-yl ester [ACD/Index Name]
135159-46-5 [RN]
6-125I-Hpp-fsk
6-I-Hpp-fsk
Carbamic acid, (2-((3-(4-hydroxy-5-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-, 5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, (3R-(3α,4aaβ,5β,6β,6aα,10α,10aβ,10bα))-

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 180.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 519.0±5.0 cm3

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