Hex(?1-3)[6-deoxy-Hex(?1-4)]HexNAc(?1-3)Hex(?1-4)[6-deoxy-Hex(?1-3)]aldehydo-Hex
N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
Also Known As: Lndfh-II|Lacto-N-difucohexaose II|N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
| Molecular Formula | C38H65NO29 |
|---|---|
| Molecular Weight | 999.3642 g/mol |
| LogP | -12.0588 |
| Topological Polar Surface Area | 482.38 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 19 |
| Exact Mass | 999.3642 |
| Monoisotopic Mass | 999.3642 |
| Heavy Atoms | 68 |
| Complexity | 1574.0051 |
Chemical Identifiers
| CAS Number | 62258-12-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC4C(C(OC(C4O)OC(C(CO)O)C(C(C=O)O)OC5C(C(C(C(O5)C)O)O)O)CO)O)CO)O)O)O |
Product Overview
Hex(?1-3)[6-deoxy-Hex(?1-4)]HexNAc(?1-3)Hex(?1-4)[6-deoxy-Hex(?1-3)]aldehydo-Hex (CAS 62258-12-2), with molecular formula C38H65NO29 and molecular weight 999.3642 g/mol. IUPAC: N-[2-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide.
Hex(?1-3)[6-deoxy-Hex(?1-4)]HexNAc(?1-3)Hex(?1-4)[6-deoxy-Hex(?1-3)]aldehydo-Hex is a custom synthesis product. We offer services from milligram to kilogram scale.
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