ChemSpider 2D Image | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl (2-{[3-(4-azido-3-iodophenyl)propanoyl]amino}ethyl)carbamate | C32H45IN5O8

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

  • Molecular FormulaC32H45IN5O8
  • Average mass753.625 Da
  • Monoisotopic mass753.223450 Da
  • ChemSpider ID2340510

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2-{[3-(4-Azido-3-iodophényl)propanoyl]amino}éthyl)carbamate de (3R,4aR,5S,6S,6aS,10S,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]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl (2-{[3-(4-azido-3-iodophenyl)propanoyl]amino}ethyl)carbamate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl-(2-{[3-(4-azido-3-iodphenyl)propanoyl]amino}ethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[3-(4-azido-3-iodophenyl)-1-oxopropyl]amino]ethyl]-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyra n-5-yl ester [ACD/Index Name]
(3R-(3α,4aβ,5β,6β,6aα,10α,10aβ,10bα))-3-Ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-5-yl (2-((3-(4-azido-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)carbamate
136133-69-2 [RN]
7-Aipp-fsk-I125
Carbamic acid, (2-((3-(4-azido-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-, 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))-
N-(3-(4-Azido-3-iodophenyl)-propionamide)-7-aminoethylcarbamyl-7-desacetylforskolin

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: 13
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5562.17
ACD/KOC (pH 5.5): 16689.27
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5559.86
ACD/KOC (pH 7.4): 16682.33
Polar Surface Area: 167 Å2
Polarizability:
Surface Tension:
Molar Volume:

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