ChemSpider 2D Image | (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE | C13H22N3O13P

(C8-R)-HYDANTOCIDIN 5'-PHOSPHATE

  • Molecular FormulaC13H22N3O13P
  • Average mass459.300 Da
  • Monoisotopic mass459.089020 Da
  • ChemSpider ID26329782

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(C8-R)-HYDANTOCIDIN 5'-PHOSPHATE
5-{(5R,7S,8R,9R)-8,9-Dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvalin [German] [ACD/IUPAC Name]
5-{(5R,7S,8R,9R)-8,9-Dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvaline [ACD/IUPAC Name]
5-{(5R,7S,8R,9R)-8,9-Dihydroxy-2,4-dioxo-7-[(phosphonooxy)méthyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxyméthyl)-L-norvaline [French] [ACD/IUPAC Name]
L-Norvaline, 5-[(5R,7S,8R,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl]-N-hydroxy-N-(hydroxymethyl)- [ACD/Index Name]
(2S)-5-[(5R,7S,8R,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]nonan-3-yl]-2-[N-hydroxy-N-(hydroxymethyl)amino]pentanoic acid
(C8-S)-HYDANTOCIDIN 5'-PHOSPHATE

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -6.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 129.4±5.0 dyne/cm
Molar Volume: 239.4±5.0 cm3

Click to predict properties on the Chemicalize site


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