ChemSpider 2D Image | KRN5500 | C28H43N7O7

KRN5500

  • Molecular FormulaC28H43N7O7
  • Average mass589.684 Da
  • Monoisotopic mass589.322388 Da
  • ChemSpider ID4944483

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-4-Deoxy-5-[(1S)-1,2-dihydroxyethyl]-N-7H-purin-6-yl-4-({N-[(2E,4E)-2,4-tetradecadienoyl]glycyl}amino)-β-L-lyxopyranosylamine [ACD/IUPAC Name]
(5R)-4-Desoxy-5-[(1S)-1,2-dihydroxyethyl]-N-7H-purin-6-yl-4-({N-[(2E,4E)-2,4-tetradecadienoyl]glycyl}amino)-β-L-lyxopyranosylamin [German] [ACD/IUPAC Name]
(5R)-4-Désoxy-5-[(1S)-1,2-dihydroxyéthyl]-N-7H-purin-6-yl-4-({N-[(2E,4E)-2,4-tetradecadienoyl]glycyl}amino)-β-L-lyxopyranosylamine [French] [ACD/IUPAC Name]
151276-95-8 [RN]
8VH13L5K20
KRN5500
L-glycero-β-L-manno-Heptopyranosylamine, 4-deoxy-4-[[2-[[(2E,4E)-1-oxo-2,4-tetradecadien-1-yl]amino]acetyl]amino]-N-7H-purin-6-yl- [ACD/Index Name]
(2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
6-(4-Deoxy-4-((2E,4E)-tetradecadienoylglycyl)amino-L-glycero-b-L-mannoheptopyranosyl)amino-9H-purine
KRN-5500
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Krn 5500 [DBID]
NSC 650426 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1007.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.1±3.0 kJ/mol
Flash Point: 563.2±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.20
ACD/KOC (pH 5.5): 453.70
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.19
ACD/KOC (pH 7.4): 453.63
Polar Surface Area: 215 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 438.6±5.0 cm3

Click to predict properties on the Chemicalize site


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