ChemSpider 2D Image | 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (non-preferred name) | C17H23N5O14

1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (non-preferred name)

  • Molecular FormulaC17H23N5O14
  • Average mass521.390 Da
  • Monoisotopic mass521.124146 Da
  • ChemSpider ID65393

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonsäure (non- preferred name) [German] [ACD/IUPAC Name]
1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)méthyl]-3,4-dihydroxytétrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxyliq ue [French] [ACD/IUPAC Name]
Acide 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)méthyl]-3,4-dihydroxytétrahydro-2-furanyl}-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxyliq ue (non-preferred name) [French] [ACD/IUPAC Name]
1-[(2R,3R,4S,5R)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-aminocarbonyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-oxo-ethyl]-3,4-dihydroxy-oxolan-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
1-[(2R,3R,4S,5R)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl]amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinecarboxylic acid
1-[(2R,3R,4S,5R)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-keto-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidine-5-carboxylic acid
1-[(2R,3R,4S,5R)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
1-[(2R,3R,4S,5R)-5-[(1S)-1-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-hydroxy-2-oxo-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
1-[(2R,3R,4S,5R)-5-[(S)-[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanamido](carboxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2468O1N7D [DBID]
AIDS008560 [DBID]
AIDS-008560 [DBID]
UNII:A2468O1N7D [DBID]
UNII-A2468O1N7D [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of polyoxins that is isolated from the soil organism <ital>Streptomyces cacaoi</ital> var. <ital>asoensis</ital>. Polyoxorim exhibits fungicidal properties and may be used on ric e, industrial grounds, golf courses and parks. ChEBI CHEBI:78777
      A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on ric; e, industrial grounds, g olf courses and parks. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78777
      A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, gol f courses and parks. ChEBI CHEBI:78777

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: 1.688
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -6.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 322 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 125.3±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

Click to predict properties on the Chemicalize site


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