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

C40H71NO32 — CID 162496131

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

(2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 162496131) has the molecular formula C40H71NO32 and a molecular weight of 1077.98 g/mol. Its IUPAC name is (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 162496131
• Molecular Formula: C40H71NO32
• Molecular Weight: 1077.98 g/mol
• Exact Mass: 1077.40
• IUPAC Name: (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCCOCCO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(CO)[C@@H](O)[C@H](O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C1O
• InChI: InChI=1S/C40H71NO32/c41-1-2-61-3-4-62-37-31(24(55)18(49)12(6-43)65-37)72-39-33(26(57)20(51)14(8-45)67-39)71-36-29(60)30(22(53)16(10-47)64-36)69-38-34(27(58)21(52)13(7-44)66-38)73-40-32(25(56)19(50)15(9-46)68-40)70-35-28(59)23(54)17(48)11(5-42)63-35/h11-40,42-60H,1-10,41H2/t11?,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-,39-,40-/m1/s1
• InChIKey: DZSKNLWYFBYTHD-CEPCVZJRSA-N
• XLogP: -14.10
• TPSA: 530.38 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.98
LogP ≤ 5	-14.10
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 162496131) is (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

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

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

The InChIKey is DZSKNLWYFBYTHD-CEPCVZJRSA-N. The full InChI is InChI=1S/C40H71NO32/c41-1-2-61-3-4-62-37-31(24(55)18(49)12(6-43)65-37)72-39-33(26(57)20(51)14(8-45)67-39)71-36-29(60)30(22(53)16(10-47)64-36)69-38-34(27(58)21(52)13(7-44)66-38)73-40-32(25(56)19(50)15(9-46)68-40)70-35-28(59)23(54)17(48)11(5-42)63-35/h11-40,42-60H,1-10,41H2/t11?,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-,39-,40-/m1/s1.

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

(2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1077.98 g/mol, XLogP of -14.10, 22 rotatable bonds, 20 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S)-2-[(2R,4S,5S)-2-[(2R,4S,5S)-2-[(2S,4S,5R)-2-[(2R,4S,5S)-2-[(2S,4S,5S)-2-[2-(2-aminoethoxy)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 162496131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).