(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C38H67NO31 — CID 162496104

About (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162496104) has the molecular formula C38H67NO31 and a molecular weight of 1033.93 g/mol. Its IUPAC name is (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 162496104
• Molecular Formula: C38H67NO31
• Molecular Weight: 1033.93 g/mol
• Exact Mass: 1033.37
• IUPAC Name: (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@H]3OC(CO)[C@@H](O)[C@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4O)C3O)C2O)C1O
• InChI: InChI=1S/C38H67NO31/c39-1-2-59-33-24(55)28(17(48)11(5-42)60-33)67-36-27(58)31(20(51)14(8-45)63-36)69-38-32(22(53)16(47)10(4-41)65-38)70-37-26(57)30(19(50)13(7-44)64-37)68-35-25(56)29(18(49)12(6-43)62-35)66-34-23(54)21(52)15(46)9(3-40)61-34/h9-38,40-58H,1-8,39H2/t9?,10?,11?,12?,13?,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-/m1/s1
• InChIKey: VOGLNVGDIPGPBM-DIFLEOBUSA-N
• XLogP: -14.12
• TPSA: 521.15 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.93
LogP ≤ 5	-14.12
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162496104) is (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is NCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@H]3OC(CO)[C@@H](O)[C@H](O[C@H]4OC(CO)[C@@H](O)[C@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C4O)C3O)C2O)C1O.

What is the InChIKey of (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is VOGLNVGDIPGPBM-DIFLEOBUSA-N. The full InChI is InChI=1S/C38H67NO31/c39-1-2-59-33-24(55)28(17(48)11(5-42)60-33)67-36-27(58)31(20(51)14(8-45)63-36)69-38-32(22(53)16(47)10(4-41)65-38)70-37-26(57)30(19(50)13(7-44)64-37)68-35-25(56)29(18(49)12(6-43)62-35)66-34-23(54)21(52)15(46)9(3-40)61-34/h9-38,40-58H,1-8,39H2/t9?,10?,11?,12?,13?,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-/m1/s1.

What are the key properties of (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1033.93 g/mol, XLogP of -14.12, 19 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-2-[(2R,4S,5R)-2-[(2R,4S,5R)-2-[(2R,4S,5S)-2-[(2R,4S,5R)-2-[(2S,4S,5R)-2-(2-aminoethoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162496104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).