ChemSpider 2D Image | (3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-secocholesta-5,7,10-trien-25-ol | C30H51NO2

(3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-secocholesta-5,7,10-trien-25-ol

  • Molecular FormulaC30H51NO2
  • Average mass457.731 Da
  • Monoisotopic mass457.391968 Da
  • ChemSpider ID24823391

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-secocholesta-5,7,10-trien-25-ol [ACD/IUPAC Name]
(3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-secocholesta-5,7,10-trien-25-ol [German] [ACD/IUPAC Name]
(3S,5Z,7E)-3-(3-Aminopropoxy)-9,10-sécocholesta-5,7,10-trién-25-ol [French] [ACD/IUPAC Name]
163018-26-6 [RN]
1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-, (1R,3aS,4E,7aR)- [ACD/Index Name]
(5Z,7E)-(3S)-3-(3'-O-amino-propyl)-9,10-seco-5,7,10(19)-cholestatriene-3,25-triol
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
(εR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol
25-Hydroxy Vitamin D3 3,3?-Aminopropyl Ether
25-Hydroxy Vitamin D3 3,3’-Aminopropyl Ether
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 580.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.8±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 133.45
ACD/KOC (pH 5.5): 155.29
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 887.36
ACD/KOC (pH 7.4): 1032.56
Polar Surface Area: 55 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 454.6±5.0 cm3

Click to predict properties on the Chemicalize site


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