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$ChemSpider 2D Image | 3-[3-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyamino]propyl-dimethyl-$l^{5}-azanyl]propane-1-sulfonate | C32H58N2O7S$

3-[3-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyamino]propyl-dimethyl-λ⁵-azanyl]propane-1-sulfonate

Molecular FormulaC₃₂H₅₈N₂O₇S
Average mass Da
Monoisotopic mass Da
ChemSpider ID21242115

- Charge
- 7 of 10 defined stereocentres

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Names and Synonyms

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

3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate

75621-03-3 [RN]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Miscellaneous
- Safety:
  
  WARNING: Irritates lungs, eyes, skin Alfa Aesar B21927

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

No predicted properties have been calculated for this compound.

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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3-[3-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyamino]propyl-dimethyl-λ⁵-azanyl]propane-1-sulfonate

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3-[3-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyamino]propyl-dimethyl-λ5-azanyl]propane-1-sulfonate

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3-[3-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyamino]propyl-dimethyl-λ⁵-azanyl]propane-1-sulfonate