Found 1 result

Search term: NHKWOPAZLQMZIQ-NRFANRHFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (14R)-14-Hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate | C23H36N5O10PS2

(14R)-14-Hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate

  • Molecular FormulaC23H36N5O10PS2
  • Average mass637.663 Da
  • Monoisotopic mass637.164124 Da
  • ChemSpider ID59051756

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(14R)-14-Hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate [ACD/IUPAC Name]
(14R)-14-Hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Butanamide, 2-hydroxy-3,3-dimethyl-N-[3-[[2-[[2-[[[5-[[[(5-methyl-3-isoxazolyl)methyl]thio]methyl]-3-isoxazolyl]methyl]thio]acetyl]amino]ethyl]amino]-3-oxopropyl]-4-(phosphonooxy)-, (2R)- [ACD/Index Name]
Dihydrogénophosphate de (14R)-14-hydroxy-15,15-diméthyl-1-[5-({[(5-méthyl-1,2-oxazol-3-yl)méthyl]sulfanyl}méthyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadécan-16-yle [French] [ACD/IUPAC Name]
3B2

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.89
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 451.4±3.0 cm3

Click to predict properties on the Chemicalize site


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