(2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol

C26H50N2O20 — CID 140628562

About (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol

(2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol (PubChem CID 140628562) has the molecular formula C26H50N2O20 and a molecular weight of 710.68 g/mol. Its IUPAC name is (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol
• PubChem CID: 140628562
• Molecular Formula: C26H50N2O20
• Molecular Weight: 710.68 g/mol
• Exact Mass: 710.30
• IUPAC Name: (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol
• SMILES: NCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
• InChI: InChI=1S/C26H50N2O20/c27-1-2-28-3-8(30)13(32)14(33)9(31)5-43-24-22(41)19(38)16(35)11(47-24)7-45-26-23(42)20(39)17(36)12(48-26)6-44-25-21(40)18(37)15(34)10(4-29)46-25/h8-26,28-42H,1-7,27H2/t8-,9+,10?,11?,12?,13+,14+,15+,16+,17+,18-,19-,20-,21?,22?,23?,24+,25+,26+/m0/s1
• InChIKey: UZGPRZMTOJTWCE-VFNDNGEYSA-N
• XLogP: -10.56
• TPSA: 376.65 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.68
LogP ≤ 5	-10.56
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol?

The IUPAC name of (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol (CID 140628562) is (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol.

What is the SMILES notation for (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol?

The canonical SMILES for (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol is NCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O.

What is the InChIKey of (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol?

The InChIKey is UZGPRZMTOJTWCE-VFNDNGEYSA-N. The full InChI is InChI=1S/C26H50N2O20/c27-1-2-28-3-8(30)13(32)14(33)9(31)5-43-24-22(41)19(38)16(35)11(47-24)7-45-26-23(42)20(39)17(36)12(48-26)6-44-25-21(40)18(37)15(34)10(4-29)46-25/h8-26,28-42H,1-7,27H2/t8-,9+,10?,11?,12?,13+,14+,15+,16+,17+,18-,19-,20-,21?,22?,23?,24+,25+,26+/m0/s1.

What are the key properties of (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol?

(2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol has a molecular weight of 710.68 g/mol, XLogP of -10.56, 17 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5R)-1-(2-aminoethylamino)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-2,3,4,5-tetrol is sourced from PubChem (CID 140628562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).