ChemSpider 2D Image | (2S)-2-({(2S)-2-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetyl}amino)pentan edioic acid | C25H32N6O13

(2S)-2-({(2S)-2-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetyl}amino)pentan edioic acid

  • Molecular FormulaC25H32N6O13
  • Average mass624.554 Da
  • Monoisotopic mass624.202759 Da
  • ChemSpider ID114492

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(2S)-2-({(2S)-2-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetyl}amino)pentan disäure [German] [ACD/IUPAC Name]
(2S)-2-({(2S)-2-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]acetyl}amino)pentan edioic acid [ACD/IUPAC Name]
Acide (2S)-2-({(2S)-2-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-méthylbutanoyl]amino}-2-[5-(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]acétyl}amino) pentanedioïque [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-[(2S,3S,4S)-2-AMINO-4-HYDROXY-4-(5-HYDROXYPYRIDIN-2-YL)-3-METHYLBUTANAMIDO]-2-[5-(2,4-DIOXO-1,3-DIHYDROPYRIMIDIN-5-YL)-3,4-DIHYDROXYOXOLAN-2-YL]ACETAMIDO]PENTANEDIOIC ACID
120796-22-7 [RN]
L-Glutamic acid, N-(N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)-2-(tetrahydro-3,4-dihydroxy-5-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-furanyl)glycyl)-, (2R-(2α,3β,4β,5α))-
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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