Found 13 results

Search term: MF = 'C_{26}H_{41}NO_{4}S'
ChemSpider 2D Image | (8xi,9xi,14xi,17beta)-17-(Diisopropylcarbamoyl)androsta-1,3-diene-3-sulfonic acid | C26H41NO4S

(8ξ,9ξ,14ξ,17β)-17-(Diisopropylcarbamoyl)androsta-1,3-diene-3-sulfonic acid

  • Molecular FormulaC26H41NO4S
  • Average mass463.673 Da
  • Monoisotopic mass463.275635 Da
  • ChemSpider ID23122787

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,17β)-17-(Diisopropylcarbamoyl)androsta-1,3-dien-3-sulfonsäure [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-17-(Diisopropylcarbamoyl)androsta-1,3-diene-3-sulfonic acid [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-17-(dipropan-2-ylcarbamoyl)androsta-1,3-diene-3-sulfonic acid
Acide (8ξ,9ξ,14ξ,17β)-17-(diisopropylcarbamoyl)androsta-1,3-diène-3-sulfonique [French] [ACD/IUPAC Name]
Androsta-1,3-diene-3-sulfonic acid, 17-[[bis(1-methylethyl)amino]carbonyl]-, (8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
(10S,13S,17S)-17-Diisopropylcarbamoyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-5H-cyclopenta[a]phenanthrene-3-sulfonic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 83 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site


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