N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-6-(7H-Purin-6-Ylamino)Oxan-3-Yl]Amino]-2-Oxoethyl]Dodecanamide
[CAS# 133397-76-9]

Identification

• Name: N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-6-(7H-Purin-6-Ylamino)Oxan-3-Yl]Amino]-2-Oxoethyl]Dodecanamide
• Synonyms: N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-6-(7H-Purin-6-Ylamino)Tetrahydropyran-3-Yl]Amino]-2-Oxo-Ethyl]Dodecanamide; N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-6-(7H-Purin-6-Ylamino)-3-Tetrahydropyranyl]Amino]-2-Oxoethyl]Dodecanamide; N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-6-(7H-Purin-6-Ylamino)Tetrahydropyran-3-Yl]Amino]-2-Keto-Ethyl]Lauramide
• Molecular Formula: C₂₆H₄₃N₇O₇
• Molecular Weight: 565.67
• CAS Registry Number: 133397-76-9
• SMILES: [C@H]3(O[C@H](NC1=NC=NC2=C1[NH]C=N2)[C@H](O)[C@H](O)[C@H]3NC(=O)CNC(=O)CCCCCCCCCCC)[C@@H](O)CO
• InChI: 1S/C26H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-17(36)27-12-18(37)32-19-21(38)22(39)26(40-23(19)16(35)13-34)33-25-20-24(29-14-28-20)30-15-31-25/h14-16,19,21-23,26,34-35,38-39H,2-13H2,1H3,(H,27,36)(H,32,37)(H2,28,29,30,31,33)/t16-,19+,21+,22+,23-,26-/m0/s1
• InChIKey: HDMNSQOXYJWIGC-PMJLLAAGSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 982.917°C at 760 mmHg (Cal.)
• Flash point: 548.249°C (Cal.)