(1S,5R)-5-Ethylpentopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-threo-hexopyranosyl-(1->3)-(5R)-5-ethyl-alpha-L-glycero-pentopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-erythro-hexopyranosyl-(1->3)-beta-D-threo-hexopyranosyl-(1->4)-D-erythro-hexopyranose
[CAS# 120864-60-0]

Identification

• Name: (1S,5R)-5-Ethylpentopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-threo-hexopyranosyl-(1->3)-(5R)-5-ethyl-alpha-L-glycero-pentopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-erythro-hexopyranosyl-(1->3)-beta-D-threo-hexopyranosyl-(1->4)-D-erythro-hexopyranose
• Synonyms: (1S,5R)-5-Ethylpentopyranosyl-(1->; 3)-2-acetamido-2-deoxy-β-D-threo-hexopyranosyl-(1->; 3)-(5R)-5-ethyl-α-L-glycero-pentopyranosyl-(1-> 4)-2-acetamido-2-deoxy-β-D-erythro-hexopyranosyl-(1-> 3)-be ta-D-threo-hexopyranosyl-(1->
• Molecular Formula: C₄₂H₇₂N₂O₂₉
• Molecular Weight: 1069.02
• CAS Registry Number: 120864-60-0
• SMILES: CC[C@@H]1C([C@@H](C([C@@H](O1)O[C@@H]2[C@H](O[C@H](C(C2O)NC(=O)C)O[C@H]3C([C@H](O[C@H](C3O)O[C@@H]4[C@H](OC(C(C4O)O)O)CO)CO)O)CO)O)O[C@H]5C([C@H](C([C@H](O5)CO)O)O[C@H]6C(C(C([C@H](O6)CC)O)O)O)NC(=O)C)O
• InChI: 1S/C42H72N2O29/c1-5-13-21(51)26(56)29(59)40(64-13)71-34-20(44-12(4)50)39(66-15(7-45)23(34)53)73-35-22(52)14(6-2)65-41(30(35)60)69-32-18(10-48)68-38(19(25(32)55)43-11(3)49)72-36-24(54)16(8-46)67-42(31(36)61)70-33-17(9-47)63-37(62)28(58)27(33)57/h13-42,45-48,51-62H,5-10H2,1-4H3,(H,43,49)(H,44,50)/t13-,14-,15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34-,35+,36+,37?,38+,39+,40+,41+,42+/m1/s1
• InChIKey: YKXWSJKXRCGBLW-JJLPCIQRSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 1372.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 783.9±34.3°C (Cal.)
• Refractive index: 1.649 (Cal.)