(2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal

• ChemBase ID: 129276
• Molecular Formular: C5H9O8P--
• Molecular Mass: 228.093921
• Monoisotopic Mass: 228.00350388
• SMILES: [O-]P(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)C=O
• Canonical SMILES: O=C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O
• InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/p-2/t3-,4+,5-/m0/s1
• InChIKey: PPQRONHOSHZGFQ-LMVFSUKVSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal
• IUPAC Traditional name: ribose 5-phosphate
• Synonyms: Ribose 5-phosphate

Database IDs

• CAS Number: 4300-28-1
• PubChem SID: 162223570
• PubChem CID: 21115541; 77982
• CHEBI ID: 58273
• Chemspider ID: 19971025
• MeSH Name: ribose-5-phosphate
• Wikipedia Title: Ribose_5-phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.4910102
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -5.467744
• LogD (pH = 7.4): -6.3607407
• Log P: -3.0615916
• Molar Refractivity: 40.0126 cm^3
• Polarizability: 17.13357 Å^3
• Polar Surface Area: 150.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true