(2R,3R,4S,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

• ChemBase ID: 106075
• Molecular Formular: C10H14N6O4
• Molecular Mass: 282.25596
• Monoisotopic Mass: 282.10765296
• SMILES: n1c2c(nc(nc2n(c1)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)CO)N)N
• Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2N
• InChI: InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
• InChIKey: ZDTFMPXQUSBYRL-UUOKFMHZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R)-2-(2,6-diamino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• IUPAC Traditional name: 2-aminoadenosine
• Synonyms: 2,6-Diaminopurine riboside; 2-Aminoadenosine; 2,6-DIAMINOPURINE RIBOSIDE; 2-氨基腺嘌呤核苷

Database IDs

• CAS Number: 2096-10-8
• MDL Number: MFCD00053556
• PubChem SID: 162087274
• PubChem CID: 72200

CALCULATED PROPERTIES

• Acid pKa: 12.453983
• H Acceptors: 9
• H Donor: 5
• LogD (pH = 5.5): -2.2875192
• LogD (pH = 7.4): -2.2417247
• Log P: -2.241104
• Molar Refractivity: 67.842 cm^3
• Polarizability: 25.71031 Å^3
• Polar Surface Area: 165.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Condition: 0°C
• RTECS: UO7523300
• TSCA Listed: 否

Product Information

• Purity: 97%