(3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

C25H43NO19 — CID 58618598

About (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

(3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 58618598) has the molecular formula C25H43NO19 and a molecular weight of 661.61 g/mol. Its IUPAC name is (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

• Compound Name: (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
• PubChem CID: 58618598
• Molecular Formula: C25H43NO19
• Molecular Weight: 661.61 g/mol
• Exact Mass: 661.24
• IUPAC Name: (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
• SMILES: OCC1=CC(N[C@@H]2C(CO)O[C@@H](OC3[C@H](O)C(O)[C@H](OC4C(CO)OC(O)[C@H](O)C4O)O[C@@H]3CO)[C@H](O)C2O)C(O)[C@@H](O)C1O
• InChI: InChI=1S/C25H43NO19/c27-2-6-1-7(13(32)15(34)12(6)31)26-11-8(3-28)42-24(19(38)14(11)33)45-22-10(5-30)43-25(20(39)17(22)36)44-21-9(4-29)41-23(40)18(37)16(21)35/h1,7-40H,2-5H2/t7?,8?,9?,10-,11-,12?,13?,14?,15+,16?,17-,18-,19-,20?,21?,22?,23?,24+,25+/m1/s1
• InChIKey: ILBCZTCSQXPTTI-XIPFKEKRSA-N
• XLogP: -9.59
• TPSA: 341.40 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	661.61
LogP ≤ 5	-9.59
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The IUPAC name of (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (CID 58618598) is (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

What is the SMILES notation for (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The canonical SMILES for (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is OCC1=CC(N[C@@H]2C(CO)O[C@@H](OC3[C@H](O)C(O)[C@H](OC4C(CO)OC(O)[C@H](O)C4O)O[C@@H]3CO)[C@H](O)C2O)C(O)[C@@H](O)C1O.

What is the InChIKey of (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The InChIKey is ILBCZTCSQXPTTI-XIPFKEKRSA-N. The full InChI is InChI=1S/C25H43NO19/c27-2-6-1-7(13(32)15(34)12(6)31)26-11-8(3-28)42-24(19(38)14(11)33)45-22-10(5-30)43-25(20(39)17(22)36)44-21-9(4-29)41-23(40)18(37)16(21)35/h1,7-40H,2-5H2/t7?,8?,9?,10-,11-,12?,13?,14?,15+,16?,17-,18-,19-,20?,21?,22?,23?,24+,25+/m1/s1.

What are the key properties of (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

(3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 661.61 g/mol, XLogP of -9.59, 10 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S,4R,6R)-5-[(2S,3R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(5S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 58618598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).