ChemSpider 2D Image | 6-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,5-dihydroxy-3-[(3-hydroxy-2-{[(methylamino)acetyl]amino}propanoyl)amino]tetrahydro-2H-pyran-2-carboxamide | C16H25N7O8

6-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,5-dihydroxy-3-[(3-hydroxy-2-{[(methylamino)acetyl]amino}propanoyl)amino]tetrahydro-2H-pyran-2-carboxamide

  • Molecular FormulaC16H25N7O8
  • Average mass443.412 Da
  • Monoisotopic mass443.176453 Da
  • ChemSpider ID24691585

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

6-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,5-dihydroxy-3-[(3-hydroxy-2-{[(methylamino)acetyl]amino}propanoyl)amino]tetrahydro-2H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
6-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,5-dihydroxy-3-[(3-hydroxy-2-{[(methylamino)acetyl]amino}propanoyl)amino]tetrahydro-2H-pyran-2-carboxamide [ACD/IUPAC Name]
6-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4,5-dihydroxy-3-[(3-hydroxy-2-{[2-(méthylamino)acétyl]amino}propanoyl)amino]tétrahydro-2H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]
156410-09-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458302/
Ningnanmycin

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.55
ACD/LogD (pH 5.5): -6.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 87.0±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

Click to predict properties on the Chemicalize site


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