ChemSpider 2D Image | (2R)-2-({(2R)-2-{[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acety l}amino)pentanedioic acid (non-preferred name) | C25H32N6O13

(2R)-2-({(2R)-2-{[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acety l}amino)pentanedioic acid (non-preferred name)

  • Molecular FormulaC25H32N6O13
  • Average mass624.554 Da
  • Monoisotopic mass624.202759 Da
  • ChemSpider ID78442957

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-2-({(2R)-2-{[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acety l}amino)pentandisäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R)-2-({(2R)-2-{[(2R,3R,4R)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acety l}amino)pentanedioic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R)-2-({(2R)-2-{[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-méthylbutanoyl]amino}-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl ]acétyl}amino)pentanedioïque (non-preferred name) [French] [ACD/IUPAC Name]
Nikkomycin pseudo-J

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -6.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 387.4±3.0 cm3

Click to predict properties on the Chemicalize site


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