ChemSpider 2D Image | Septacidin | C30H51N7O7

Septacidin

  • Molecular FormulaC30H51N7O7
  • Average mass621.769 Da
  • Monoisotopic mass621.385010 Da
  • ChemSpider ID86910

  • 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]-4-{[N-(14-methylpentadecanoyl)glycyl]amino}-N-7H-purin-6-yl-β-L-xylopyranosylamine [ACD/IUPAC Name]
(5R)-4-Desoxy-5-[(1S)-1,2-dihydroxyethyl]-4-{[N-(14-methylpentadecanoyl)glycyl]amino}-N-7H-purin-6-yl-β-L-xylopyranosylamin [German] [ACD/IUPAC Name]
(5R)-4-Désoxy-5-[(1S)-1,2-dihydroxyéthyl]-4-{[N-(14-méthylpentadecanoyl)glycyl]amino}-N-7H-purin-6-yl-β-L-xylopyranosylamine [French] [ACD/IUPAC Name]
62362-59-8 [RN]
L-glycero-β-L-gluco-Heptopyranosylamine, 4-deoxy-4-[[2-[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-7H-purin-6-yl- [ACD/Index Name]
N-[2-[[(2R,3R,4R,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide
Septacidin
E'Septacidin'
L-glycero-β-L-gluco-Heptopyranosylamine, 4-deoxy-4-((((14-methyl-1-oxopentadecyl)amino)acetyl)amino)-N-1H-purin-6-yl-

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

NSC 65104 [DBID]
NSC-65104 [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: 979.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 546.2±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.51
ACD/KOC (pH 5.5): 1142.31
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.49
ACD/KOC (pH 7.4): 1142.14
Polar Surface Area: 215 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 484.7±5.0 cm3

Click to predict properties on the Chemicalize site


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