(2R,3S,4R,5E)-5-(2-phenylhydrazin-1-ylidene)pentane-1,2,3,4-tetrol

• ChemBase ID: 160783
• Molecular Formular: C11H16N2O4
• Molecular Mass: 240.25574
• Monoisotopic Mass: 240.111007
• SMILES: N(/N=C/[C@H]([C@H](O)[C@@H](CO)O)O)c1ccccc1
• Canonical SMILES: OC[C@H]([C@H]([C@@H](/C=N/Nc1ccccc1)O)O)O
• InChI: InChI=1S/C11H16N2O4/c14-7-10(16)11(17)9(15)6-12-13-8-4-2-1-3-5-8/h1-6,9-11,13-17H,7H2/b12-6+/t9-,10-,11+/m1/s1
• InChIKey: UJFBUGYDKFCOBD-LOVNDBIDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5E)-5-(2-phenylhydrazin-1-ylidene)pentane-1,2,3,4-tetrol
• IUPAC Traditional name: (2R,3S,4R,5E)-5-(2-phenylhydrazin-1-ylidene)pentane-1,2,3,4-tetrol
• Synonyms: D-Arabinose Phenylhydrazone

Database IDs

• CAS Number: 28767-74-0
• PubChem SID: 162254918
• PubChem CID: 71313479

CALCULATED PROPERTIES

• Acid pKa: 12.67144
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -0.85840684
• LogD (pH = 7.4): -0.82602626
• Log P: -0.823161
• Molar Refractivity: 63.1208 cm^3
• Polarizability: 23.934103 Å^3
• Polar Surface Area: 105.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; DMSO; Methanol
• Apperance: Yellow Solid

DETAILS

Toronto Research Chemicals - A764200

D-Neopterin intermediate.