ChemSpider 2D Image | (2S)-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}[(2R,3S,4R)-5-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-pref erred name) | C20H25N5O10

(2S)-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}[(2R,3S,4R)-5-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-pref erred name)

  • Molecular FormulaC20H25N5O10
  • Average mass495.440 Da
  • Monoisotopic mass495.160156 Da
  • ChemSpider ID24659574

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2S)-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}[(2R,3S,4R)-5-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,4-dihydroxytetrahydro-2-furanyl]acetic acid (non-pref erred name) [ACD/IUPAC Name]
(2S)-{[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino}[(2R,3S,4R)-5-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,4-dihydroxytetrahydro-2-furanyl]essigsäure (non-prefe rred name) [German] [ACD/IUPAC Name]
1H-Imidazole-4-carboxaldehyde, 1-[5-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-5-deoxy-D-allofuranuronosyl]-2,3-dihydro-2-oxo- [ACD/Index Name]
Acide (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-méthylbutanoyl]amino}[(2R,3S,4R)-5-(4-formyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,4-dihydroxytétrahydro-2-furanyl]acétique (non-p referred name) [French] [ACD/IUPAC Name]
(S)-[(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy-pyridin-2-yl)-3-methyl-butyrylamino]-[5-(4-formyl-2-oxo-2,3-dihydro-imidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid

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: 1.754
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 271.4±7.0 cm3

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