Found 1 result

Search term: XGHNPDUMSGEFTQ-RKOFLFEYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2S,3R,4S,5S)-5-({4-[(4-Azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol | C17H26N6O7

(1S,2S,3R,4S,5S)-5-({4-[(4-Azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol

  • Molecular FormulaC17H26N6O7
  • Average mass426.424 Da
  • Monoisotopic mass426.186310 Da
  • ChemSpider ID129239084

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3R,4S,5S)-5-({4-[(4-Azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(1S,2S,3R,4S,5S)-5-({4-[(4-Azido-2-nitrophényl)amino]butyl}amino)-1-(hydroxyméthyl)-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1S,2S,3R,4S,5S)-5-({4-[(4-Azido-2-nitrophenyl)amino]butyl}amino)-1-(hydroxymethyl)-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-[[4-[(4-azido-2-nitrophenyl)amino]butyl]amino]-1-(hydroxymethyl)-, (1S,2S,3R,4S,5S)- [ACD/Index Name]

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: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

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