ChemSpider 2D Image | 1-{4-[(3-Ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl)amino]-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranosyluronosyl}-2,4(1H,3H)-pyrimidinedione | C17H26N7O6

1-{4-[(3-Ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl)amino]-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranosyluronosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H26N7O6
  • Average mass424.431 Da
  • Monoisotopic mass424.193909 Da
  • ChemSpider ID26330878

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-{4-[(3-Ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl)amino]-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranosyluronosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{4-[(3-Ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl)amino]-2,3,4-tridesoxy-β-D-erythro-hex-2-enopyranosyluronosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{4-[(3-Ammonio-5-{[ammonio(imino)méthyl](méthyl)amino}pentanoyl)amino]-2,3,4-tridésoxy-β-D-érythro-hex-2-énopyranosyluronosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[4-[[3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl]-, inner salt, conjugate acid [ACD/Index Name]
deaminohydroxyblasticidin S
deaminohydroxyblasticidin S cation
deaminohydroxyblasticidin S(1+)
  • Miscellaneous

    • Chemical Class:

      Conjugate acid of deaminohydroxyblasticidin S having an anionic carboxy group and protonated primary amino and guanidino groups; major species at pH 7.3. ChEBI CHEBI:57697

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: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -6.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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